5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride

C36H31Br2Cl2N11O5S4 — CID 161359268

IUPAC5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride
SMILESCS(=O)(=O)Nc1cc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)cnc1Cl.Nc1nc2ccc(Br)nc2s1.O=C(Cl)C1CC1.O=C(Nc1nc2ccc(Br)nc2s1)C1CC1
InChIInChI=1S/C16H14ClN5O3S2.C10H8BrN3OS.C6H4BrN3S.C4H5ClO/c1-27(24,25)22-12-6-9(7-18-13(12)17)10-4-5-11-15(19-10)26-16(20-11)21-14(23)8-2-3-8;11-7-4-3-6-9(13-7)16-10(12-6)14-8(15)5-1-2-5;7-4-2-1-3-5(10-4)11-6(8)9-3;5-4(6)3-1-2-3/h4-8,22H,2-3H2,1H3,(H,20,21,23);3-5H,1-2H2,(H,12,14,15);1-2H,(H2,8,9);3H,1-2H2
InChIKeyVOYOBKVDDYKVHK-UHFFFAOYSA-N
MW1056.70 g/mol
LogP9.13
Rot. Bonds8

About 5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride

5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride (PubChem CID 161359268) has the molecular formula C36H31Br2Cl2N11O5S4 and a molecular weight of 1056.70 g/mol. Its IUPAC name is 5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride.

Molecular Properties

Compound Name5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride
PubChem CID161359268
Molecular FormulaC36H31Br2Cl2N11O5S4
Molecular Weight1056.70 g/mol
Exact Mass1052.91
IUPAC Name5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride
SMILESCS(=O)(=O)Nc1cc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)cnc1Cl.Nc1nc2ccc(Br)nc2s1.O=C(Cl)C1CC1.O=C(Nc1nc2ccc(Br)nc2s1)C1CC1
InChIInChI=1S/C16H14ClN5O3S2.C10H8BrN3OS.C6H4BrN3S.C4H5ClO/c1-27(24,25)22-12-6-9(7-18-13(12)17)10-4-5-11-15(19-10)26-16(20-11)21-14(23)8-2-3-8;11-7-4-3-6-9(13-7)16-10(12-6)14-8(15)5-1-2-5;7-4-2-1-3-5(10-4)11-6(8)9-3;5-4(6)3-1-2-3/h4-8,22H,2-3H2,1H3,(H,20,21,23);3-5H,1-2H2,(H,12,14,15);1-2H,(H2,8,9);3H,1-2H2
InChIKeyVOYOBKVDDYKVHK-UHFFFAOYSA-N
XLogP9.13
TPSA237.69 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001056.70
LogP ≤ 59.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride?
The IUPAC name of 5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride (CID 161359268) is 5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride.
What is the SMILES notation for 5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride?
The canonical SMILES for 5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride is CS(=O)(=O)Nc1cc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)cnc1Cl.Nc1nc2ccc(Br)nc2s1.O=C(Cl)C1CC1.O=C(Nc1nc2ccc(Br)nc2s1)C1CC1.
What is the InChIKey of 5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride?
The InChIKey is VOYOBKVDDYKVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3S2.C10H8BrN3OS.C6H4BrN3S.C4H5ClO/c1-27(24,25)22-12-6-9(7-18-13(12)17)10-4-5-11-15(19-10)26-16(20-11)21-14(23)8-2-3-8;11-7-4-3-6-9(13-7)16-10(12-6)14-8(15)5-1-2-5;7-4-2-1-3-5(10-4)11-6(8)9-3;5-4(6)3-1-2-3/h4-8,22H,2-3H2,1H3,(H,20,21,23);3-5H,1-2H2,(H,12,14,15);1-2H,(H2,8,9);3H,1-2H2.
What are the key properties of 5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride?
5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride has a molecular weight of 1056.70 g/mol, XLogP of 9.13, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride is sourced from PubChem (CID 161359268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).