7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine

C16H12ClN5S2 — CID 16661051

IUPAC7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine
SMILESCc1nc(Nc2ncc(-c3ccnc(Cl)c3)c3sc(C)nc23)cs1
InChIInChI=1S/C16H12ClN5S2/c1-8-20-13(7-23-8)22-16-14-15(24-9(2)21-14)11(6-19-16)10-3-4-18-12(17)5-10/h3-7H,1-2H3,(H,19,22)
InChIKeyUOHIRCGTRJOXAC-UHFFFAOYSA-N
MW373.89 g/mol
LogP5.22
Rot. Bonds3

About 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine

7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine (PubChem CID 16661051) has the molecular formula C16H12ClN5S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine
PubChem CID16661051
Molecular FormulaC16H12ClN5S2
Molecular Weight373.89 g/mol
Exact Mass373.02
IUPAC Name7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine
SMILESCc1nc(Nc2ncc(-c3ccnc(Cl)c3)c3sc(C)nc23)cs1
InChIInChI=1S/C16H12ClN5S2/c1-8-20-13(7-23-8)22-16-14-15(24-9(2)21-14)11(6-19-16)10-3-4-18-12(17)5-10/h3-7H,1-2H3,(H,19,22)
InChIKeyUOHIRCGTRJOXAC-UHFFFAOYSA-N
XLogP5.22
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine (CID 16661051) is 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine is Cc1nc(Nc2ncc(-c3ccnc(Cl)c3)c3sc(C)nc23)cs1.
What is the InChIKey of 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The InChIKey is UOHIRCGTRJOXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5S2/c1-8-20-13(7-23-8)22-16-14-15(24-9(2)21-14)11(6-19-16)10-3-4-18-12(17)5-10/h3-7H,1-2H3,(H,19,22).
What are the key properties of 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine has a molecular weight of 373.89 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-1,3-thiazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 16661051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).