N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide

C14H12N4O3S2 — CID 46932541

IUPACN-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2cnc(-c3cncc(S(C)(=O)=O)c3)cc2s1
InChIInChI=1S/C14H12N4O3S2/c1-8(19)17-14-18-12-7-16-11(4-13(12)22-14)9-3-10(6-15-5-9)23(2,20)21/h3-7H,1-2H3,(H,17,18,19)
InChIKeyCTGZNDDQQYXAIL-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.12
Rot. Bonds3

About N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide

N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide (PubChem CID 46932541) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide
PubChem CID46932541
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC NameN-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2cnc(-c3cncc(S(C)(=O)=O)c3)cc2s1
InChIInChI=1S/C14H12N4O3S2/c1-8(19)17-14-18-12-7-16-11(4-13(12)22-14)9-3-10(6-15-5-9)23(2,20)21/h3-7H,1-2H3,(H,17,18,19)
InChIKeyCTGZNDDQQYXAIL-UHFFFAOYSA-N
XLogP2.12
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
N-[6-[5-[(4-methoxyphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51354315
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623339
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-[6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-yl]pyrrolidine-1-carboxamide
CID 89034241
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide
CID 3145091
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
CID 20971886
1-[2-(methylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]ethanone
CID 130047694
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 18196513
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899
N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide
CID 87563994
N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide
CID 58357227

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide (CID 46932541) is N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide is CC(=O)Nc1nc2cnc(-c3cncc(S(C)(=O)=O)c3)cc2s1.
What is the InChIKey of N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide?
The InChIKey is CTGZNDDQQYXAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c1-8(19)17-14-18-12-7-16-11(4-13(12)22-14)9-3-10(6-15-5-9)23(2,20)21/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide?
N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 46932541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).