2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide

C10H13N3O2S2 — CID 4815457

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSc1nc(C)cs1
InChIInChI=1S/C10H13N3O2S2/c1-3-4-11-9(15)13-8(14)6-17-10-12-7(2)5-16-10/h3,5H,1,4,6H2,2H3,(H2,11,13,14,15)
InChIKeyUDPWKAXVVHYWDE-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.56
Rot. Bonds5

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 4815457) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID4815457
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSc1nc(C)cs1
InChIInChI=1S/C10H13N3O2S2/c1-3-4-11-9(15)13-8(14)6-17-10-12-7(2)5-16-10/h3,5H,1,4,6H2,2H3,(H2,11,13,14,15)
InChIKeyUDPWKAXVVHYWDE-UHFFFAOYSA-N
XLogP1.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 9318254
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 2511361
N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 47115851
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 84818244
2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 8006187
2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 7420003
N-(3,5-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532912
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 41431344
N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8002458
2-[2-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 45395473

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide (CID 4815457) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CSc1nc(C)cs1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is UDPWKAXVVHYWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-3-4-11-9(15)13-8(14)6-17-10-12-7(2)5-16-10/h3,5H,1,4,6H2,2H3,(H2,11,13,14,15).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 271.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 4815457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).