3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C13H14N2OS2 — CID 7254594

IUPAC3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(SCCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H14N2OS2/c1-10-2-4-11(5-3-10)17-8-6-12(16)15-13-14-7-9-18-13/h2-5,7,9H,6,8H2,1H3,(H,14,15,16)
InChIKeyUMWSEBGKXCZPTR-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.57
Rot. Bonds5

About 3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 7254594) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID7254594
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(SCCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H14N2OS2/c1-10-2-4-11(5-3-10)17-8-6-12(16)15-13-14-7-9-18-13/h2-5,7,9H,6,8H2,1H3,(H,14,15,16)
InChIKeyUMWSEBGKXCZPTR-UHFFFAOYSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
LY-73497
CID 3001082
(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
CID 9886086
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319
N-Phenethyl-N'-thiazol-2-yl-oxalamide
CID 1870873
Mls000757107
CID 324088
Thiourea, N-methyl-N'-(2-phenylethyl)-N-2-thiazolyl-
CID 3001104
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2991996
3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3824898

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 7254594) is 3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc(SCCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is UMWSEBGKXCZPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-10-2-4-11(5-3-10)17-8-6-12(16)15-13-14-7-9-18-13/h2-5,7,9H,6,8H2,1H3,(H,14,15,16).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 7254594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).