3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide

C15H14N4O3S2 — CID 121380152

IUPAC3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc2nc(-c3cccnc3)sc2n1
InChIInChI=1S/C15H14N4O3S2/c1-24(21,22)8-6-13(20)18-12-5-4-11-15(19-12)23-14(17-11)10-3-2-7-16-9-10/h2-5,7,9H,6,8H2,1H3,(H,18,19,20)
InChIKeyMZZBKYVIMACGGV-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.13
Rot. Bonds5

About 3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide

3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 121380152) has the molecular formula C15H14N4O3S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID121380152
Molecular FormulaC15H14N4O3S2
Molecular Weight362.44 g/mol
Exact Mass362.05
IUPAC Name3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc2nc(-c3cccnc3)sc2n1
InChIInChI=1S/C15H14N4O3S2/c1-24(21,22)8-6-13(20)18-12-5-4-11-15(19-12)23-14(17-11)10-3-2-7-16-9-10/h2-5,7,9H,6,8H2,1H3,(H,18,19,20)
InChIKeyMZZBKYVIMACGGV-UHFFFAOYSA-N
XLogP2.13
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide
CID 59580935
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
CID 91754454
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-methylsulfonylpropanamide
CID 110620089
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 845637
4-methyl-2-pyridin-3-yl-N-quinolin-2-yl-1,3-thiazole-5-carboxamide
CID 71111596
N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110612486
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
2-pyridin-3-yl-1,3-benzothiazole-6-carboxylic acid
CID 39105580
2-pyridin-3-yloxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024419
N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 126635055
4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960
N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329096

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide (CID 121380152) is 3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for 3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide is CS(=O)(=O)CCC(=O)Nc1ccc2nc(-c3cccnc3)sc2n1.
What is the InChIKey of 3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is MZZBKYVIMACGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S2/c1-24(21,22)8-6-13(20)18-12-5-4-11-15(19-12)23-14(17-11)10-3-2-7-16-9-10/h2-5,7,9H,6,8H2,1H3,(H,18,19,20).
What are the key properties of 3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide?
3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 362.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 121380152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).