2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

C14H15ClN2OS2 — CID 24647862

IUPAC2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)Sc2ccc(Cl)cc2)sc1C
InChIInChI=1S/C14H15ClN2OS2/c1-8-9(2)20-14(16-8)17-13(18)10(3)19-12-6-4-11(15)5-7-12/h4-7,10H,1-3H3,(H,16,17,18)
InChIKeyKCZQLYVYCZACTB-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.53
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 24647862) has the molecular formula C14H15ClN2OS2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID24647862
Molecular FormulaC14H15ClN2OS2
Molecular Weight326.87 g/mol
Exact Mass326.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)Sc2ccc(Cl)cc2)sc1C
InChIInChI=1S/C14H15ClN2OS2/c1-8-9(2)20-14(16-8)17-13(18)10(3)19-12-6-4-11(15)5-7-12/h4-7,10H,1-3H3,(H,16,17,18)
InChIKeyKCZQLYVYCZACTB-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7121110
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
(2R)-2-(4-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8647899
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 24584497
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 47144634
2-(4-aminophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19630104
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
(2R)-2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2232086
2-(4-chlorophenyl)sulfanyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 16815374

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 24647862) is 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is Cc1nc(NC(=O)C(C)Sc2ccc(Cl)cc2)sc1C.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is KCZQLYVYCZACTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS2/c1-8-9(2)20-14(16-8)17-13(18)10(3)19-12-6-4-11(15)5-7-12/h4-7,10H,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 326.87 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24647862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).