N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide

C12H12ClN3OS2 — CID 91754454

IUPACN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C12H12ClN3OS2/c1-18-6-4-9(17)15-12-10(13)16-11(19-12)8-3-2-5-14-7-8/h2-3,5,7H,4,6H2,1H3,(H,15,17)
InChIKeyPABYLMGJAHEJTH-UHFFFAOYSA-N
MW313.84 g/mol
LogP3.55
Rot. Bonds5

About N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide (PubChem CID 91754454) has the molecular formula C12H12ClN3OS2 and a molecular weight of 313.84 g/mol. Its IUPAC name is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
PubChem CID91754454
Molecular FormulaC12H12ClN3OS2
Molecular Weight313.84 g/mol
Exact Mass313.01
IUPAC NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C12H12ClN3OS2/c1-18-6-4-9(17)15-12-10(13)16-11(19-12)8-3-2-5-14-7-8/h2-3,5,7H,4,6H2,1H3,(H,15,17)
InChIKeyPABYLMGJAHEJTH-UHFFFAOYSA-N
XLogP3.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
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N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-methylidenebutanamide
CID 89012334
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)thiophene-3-carboxamide
CID 70833052
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 89445696
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)-1,3-thiazole-4-carboxamide
CID 89445686
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 70833134
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)oxolane-3-carboxamide;methane
CID 159604723
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 59580713
N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 70833266
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide (CID 91754454) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
The InChIKey is PABYLMGJAHEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS2/c1-18-6-4-9(17)15-12-10(13)16-11(19-12)8-3-2-5-14-7-8/h2-3,5,7H,4,6H2,1H3,(H,15,17).
What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide has a molecular weight of 313.84 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 91754454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).