N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane

C76H89Cl5N22O10S4 — CID 159865639

About N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane

N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane (PubChem CID 159865639) has the molecular formula C76H89Cl5N22O10S4 and a molecular weight of 1776.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane
• PubChem CID: 159865639
• Molecular Formula: C76H89Cl5N22O10S4
• Molecular Weight: 1776.22 g/mol
• Exact Mass: 1772.45
• IUPAC Name: N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane
• SMILES: C.C.C.C.CC(C)(C)OC(=O)NCCN.CC(C)(C)OC(=O)NCCNC(=O)c1cncc(-c2cnc(Nc3ncccc3Cl)s2)c1.NCCNC(=O)c1cncc(-c2cnc(Nc3ncccc3Cl)s2)c1.Nc1ncccc1Cl.O=C(O)c1cncc(-c2cnc(Cl)s2)c1.O=C(O)c1cncc(-c2cnc(Nc3ncccc3Cl)s2)c1
• InChI: InChI=1S/C21H23ClN6O3S.C16H15ClN6OS.C14H9ClN4O2S.C9H5ClN2O2S.C7H16N2O2.C5H5ClN2.4CH4/c1-21(2,3)31-20(30)26-8-7-25-18(29)14-9-13(10-23-11-14)16-12-27-19(32-16)28-17-15(22)5-4-6-24-17;17-12-2-1-4-20-14(12)23-16-22-9-13(25-16)10-6-11(8-19-7-10)15(24)21-5-3-18;15-10-2-1-3-17-12(10)19-14-18-7-11(22-14)8-4-9(13(20)21)6-16-5-8;10-9-12-4-7(15-9)5-1-6(8(13)14)3-11-2-5;1-7(2,3)11-6(10)9-5-4-8;6-4-2-1-3-8-5(4)7;;;;/h4-6,9-12H,7-8H2,1-3H3,(H,25,29)(H,26,30)(H,24,27,28);1-2,4,6-9H,3,5,18H2,(H,21,24)(H,20,22,23);1-7H,(H,20,21)(H,17,18,19);1-4H,(H,13,14);4-5,8H2,1-3H3,(H,9,10);1-3H,(H2,7,8);4*1H4
• InChIKey: NRRSREIQCCJZHX-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 478.29 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1776.22
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane?

The IUPAC name of N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane (CID 159865639) is N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane.

What is the SMILES notation for N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane?

The canonical SMILES for N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane is C.C.C.C.CC(C)(C)OC(=O)NCCN.CC(C)(C)OC(=O)NCCNC(=O)c1cncc(-c2cnc(Nc3ncccc3Cl)s2)c1.NCCNC(=O)c1cncc(-c2cnc(Nc3ncccc3Cl)s2)c1.Nc1ncccc1Cl.O=C(O)c1cncc(-c2cnc(Cl)s2)c1.O=C(O)c1cncc(-c2cnc(Nc3ncccc3Cl)s2)c1.

What is the InChIKey of N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane?

The InChIKey is NRRSREIQCCJZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O3S.C16H15ClN6OS.C14H9ClN4O2S.C9H5ClN2O2S.C7H16N2O2.C5H5ClN2.4CH4/c1-21(2,3)31-20(30)26-8-7-25-18(29)14-9-13(10-23-11-14)16-12-27-19(32-16)28-17-15(22)5-4-6-24-17;17-12-2-1-4-20-14(12)23-16-22-9-13(25-16)10-6-11(8-19-7-10)15(24)21-5-3-18;15-10-2-1-3-17-12(10)19-14-18-7-11(22-14)8-4-9(13(20)21)6-16-5-8;10-9-12-4-7(15-9)5-1-6(8(13)14)3-11-2-5;1-7(2,3)11-6(10)9-5-4-8;6-4-2-1-3-8-5(4)7;;;;/h4-6,9-12H,7-8H2,1-3H3,(H,25,29)(H,26,30)(H,24,27,28);1-2,4,6-9H,3,5,18H2,(H,21,24)(H,20,22,23);1-7H,(H,20,21)(H,17,18,19);1-4H,(H,13,14);4-5,8H2,1-3H3,(H,9,10);1-3H,(H2,7,8);4*1H4.

What are the key properties of N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane?

N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane has a molecular weight of 1776.22 g/mol, XLogP of 17.52, 21 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonyl]amino]ethyl]carbamate;3-chloropyridin-2-amine;5-[2-[(3-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane is sourced from PubChem (CID 159865639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).