N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide

C82H76Br4Cl7N23O6S6 — CID 159219554

About N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide

N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide (PubChem CID 159219554) has the molecular formula C82H76Br4Cl7N23O6S6 and a molecular weight of 2239.85 g/mol. Its IUPAC name is N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide
• PubChem CID: 159219554
• Molecular Formula: C82H76Br4Cl7N23O6S6
• Molecular Weight: 2239.85 g/mol
• Exact Mass: 2230.92
• IUPAC Name: N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide
• SMILES: CC(C)(C)OC(=O)NC1CC=C(c2ccnc3nc(NC(=O)C4CC4)sc23)CC1.Clc1ccnc(Cl)c1Br.NC(=S)Nc1nccc(Cl)c1Br.NC1CC=C(c2ccnc3nc(NC(=O)C4CC4)sc23)CC1.Nc1nc2nccc(Cl)c2s1.Nc1nccc(Cl)c1Br.O=C(NC(=S)Nc1nccc(Cl)c1Br)c1ccccc1.O=C(Nc1nc2nccc(Cl)c2s1)C1CC1
• InChI: InChI=1S/C21H26N4O3S.C16H18N4OS.C13H9BrClN3OS.C10H8ClN3OS.C6H5BrClN3S.C6H4ClN3S.C5H2BrCl2N.C5H4BrClN2/c1-21(2,3)28-20(27)23-14-8-6-12(7-9-14)15-10-11-22-17-16(15)29-19(24-17)25-18(26)13-4-5-13;17-11-5-3-9(4-6-11)12-7-8-18-14-13(12)22-16(19-14)20-15(21)10-1-2-10;14-10-9(15)6-7-16-11(10)17-13(20)18-12(19)8-4-2-1-3-5-8;11-6-3-4-12-8-7(6)16-10(13-8)14-9(15)5-1-2-5;7-4-3(8)1-2-10-5(4)11-6(9)12;7-3-1-2-9-5-4(3)11-6(8)10-5;2*6-4-3(7)1-2-9-5(4)8/h6,10-11,13-14H,4-5,7-9H2,1-3H3,(H,23,27)(H,22,24,25,26);3,7-8,10-11H,1-2,4-6,17H2,(H,18,19,20,21);1-7H,(H2,16,17,18,19,20);3-5H,1-2H2,(H,12,13,14,15);1-2H,(H3,9,10,11,12);1-2H,(H2,8,9,10);1-2H;1-2H,(H2,8,9)
• InChIKey: KRMXXGZVTYYUSM-UHFFFAOYSA-N
• XLogP: 23.06
• TPSA: 437.55 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2239.85
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide?

The IUPAC name of N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide (CID 159219554) is N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide.

What is the SMILES notation for N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide?

The canonical SMILES for N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide is CC(C)(C)OC(=O)NC1CC=C(c2ccnc3nc(NC(=O)C4CC4)sc23)CC1.Clc1ccnc(Cl)c1Br.NC(=S)Nc1nccc(Cl)c1Br.NC1CC=C(c2ccnc3nc(NC(=O)C4CC4)sc23)CC1.Nc1nc2nccc(Cl)c2s1.Nc1nccc(Cl)c1Br.O=C(NC(=S)Nc1nccc(Cl)c1Br)c1ccccc1.O=C(Nc1nc2nccc(Cl)c2s1)C1CC1.

What is the InChIKey of N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide?

The InChIKey is KRMXXGZVTYYUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S.C16H18N4OS.C13H9BrClN3OS.C10H8ClN3OS.C6H5BrClN3S.C6H4ClN3S.C5H2BrCl2N.C5H4BrClN2/c1-21(2,3)28-20(27)23-14-8-6-12(7-9-14)15-10-11-22-17-16(15)29-19(24-17)25-18(26)13-4-5-13;17-11-5-3-9(4-6-11)12-7-8-18-14-13(12)22-16(19-14)20-15(21)10-1-2-10;14-10-9(15)6-7-16-11(10)17-13(20)18-12(19)8-4-2-1-3-5-8;11-6-3-4-12-8-7(6)16-10(13-8)14-9(15)5-1-2-5;7-4-3(8)1-2-10-5(4)11-6(9)12;7-3-1-2-9-5-4(3)11-6(8)10-5;2*6-4-3(7)1-2-9-5(4)8/h6,10-11,13-14H,4-5,7-9H2,1-3H3,(H,23,27)(H,22,24,25,26);3,7-8,10-11H,1-2,4-6,17H2,(H,18,19,20,21);1-7H,(H2,16,17,18,19,20);3-5H,1-2H2,(H,12,13,14,15);1-2H,(H3,9,10,11,12);1-2H,(H2,8,9,10);1-2H;1-2H,(H2,8,9).

What are the key properties of N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide?

N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide has a molecular weight of 2239.85 g/mol, XLogP of 23.06, 12 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 159219554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).