2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide

C14H15N3O2S2 — CID 935327

IUPAC2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCc1csc(NC(=O)CSCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H15N3O2S2/c1-10-7-21-14(15-10)17-13(19)9-20-8-12(18)16-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyRGVUYYACXOCIBK-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.76
Rot. Bonds6

About 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide

2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide (PubChem CID 935327) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
PubChem CID935327
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCc1csc(NC(=O)CSCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H15N3O2S2/c1-10-7-21-14(15-10)17-13(19)9-20-8-12(18)16-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyRGVUYYACXOCIBK-UHFFFAOYSA-N
XLogP2.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
N-(3-Chlorophenyl)-N'-(4-methyl-1,3-thiazol-2-YL)urea
CID 727855
4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 676722
4-tert-butyl-N-phenylthiazol-2-amine
CID 9899450
5-{[(2-methyl-1,3-thiazol-4-yl)methyl]thio}-4-phenyl-4H-1,2,4-triazol-3-ol
CID 2743980
4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine
CID 971435
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
CID 2898103
Ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 728643
Amicarthiazol
CID 735558
2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
Acetamide, N-2-benzothiazolyl-
CID 350459

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide (CID 935327) is 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide is Cc1csc(NC(=O)CSCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The InChIKey is RGVUYYACXOCIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-10-7-21-14(15-10)17-13(19)9-20-8-12(18)16-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,16,18)(H,15,17,19).
What are the key properties of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide has a molecular weight of 321.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 935327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).