2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide

C12H11N3OS — CID 145187858

IUPAC2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide
SMILESC=CNc1nc(C(=O)Nc2ccccc2)cs1
InChIInChI=1S/C12H11N3OS/c1-2-13-12-15-10(8-17-12)11(16)14-9-6-4-3-5-7-9/h2-8H,1H2,(H,13,15)(H,14,16)
InChIKeyULUNDYCIWFORDI-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.95
Rot. Bonds4

About 2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide

2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 145187858) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID145187858
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide
SMILESC=CNc1nc(C(=O)Nc2ccccc2)cs1
InChIInChI=1S/C12H11N3OS/c1-2-13-12-15-10(8-17-12)11(16)14-9-6-4-3-5-7-9/h2-8H,1H2,(H,13,15)(H,14,16)
InChIKeyULUNDYCIWFORDI-UHFFFAOYSA-N
XLogP2.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate
CID 134297257
2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550613
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42865771
2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948235
N-[4-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 166005650
2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 151079036

Frequently Asked Questions

What is the IUPAC name of 2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide (CID 145187858) is 2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide is C=CNc1nc(C(=O)Nc2ccccc2)cs1.
What is the InChIKey of 2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is ULUNDYCIWFORDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-13-12-15-10(8-17-12)11(16)14-9-6-4-3-5-7-9/h2-8H,1H2,(H,13,15)(H,14,16).
What are the key properties of 2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide?
2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 245.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 145187858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).