5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol

C15H12ClN3OS2 — CID 24764519

IUPAC5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol
SMILESCc1csc(Nc2ncc(O)cc2Sc2ccccc2Cl)n1
InChIInChI=1S/C15H12ClN3OS2/c1-9-8-21-15(18-9)19-14-13(6-10(20)7-17-14)22-12-5-3-2-4-11(12)16/h2-8,20H,1H3,(H,17,18,19)
InChIKeyKVPJWHFULPEXLN-UHFFFAOYSA-N
MW349.87 g/mol
LogP5.10
Rot. Bonds4

About 5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol

5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol (PubChem CID 24764519) has the molecular formula C15H12ClN3OS2 and a molecular weight of 349.87 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol
PubChem CID24764519
Molecular FormulaC15H12ClN3OS2
Molecular Weight349.87 g/mol
Exact Mass349.01
IUPAC Name5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol
SMILESCc1csc(Nc2ncc(O)cc2Sc2ccccc2Cl)n1
InChIInChI=1S/C15H12ClN3OS2/c1-9-8-21-15(18-9)19-14-13(6-10(20)7-17-14)22-12-5-3-2-4-11(12)16/h2-8,20H,1H3,(H,17,18,19)
InChIKeyKVPJWHFULPEXLN-UHFFFAOYSA-N
XLogP5.10
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.87
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol?
The IUPAC name of 5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol (CID 24764519) is 5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol.
What is the SMILES notation for 5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol?
The canonical SMILES for 5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol is Cc1csc(Nc2ncc(O)cc2Sc2ccccc2Cl)n1.
What is the InChIKey of 5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol?
The InChIKey is KVPJWHFULPEXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS2/c1-9-8-21-15(18-9)19-14-13(6-10(20)7-17-14)22-12-5-3-2-4-11(12)16/h2-8,20H,1H3,(H,17,18,19).
What are the key properties of 5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol?
5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol has a molecular weight of 349.87 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol is sourced from PubChem (CID 24764519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).