N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide

C12H11N3O2S — CID 63049431

IUPACN-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cscn2)c1
InChIInChI=1S/C12H11N3O2S/c13-11(16)9-3-1-2-8(4-9)5-14-12(17)10-6-18-7-15-10/h1-4,6-7H,5H2,(H2,13,16)(H,14,17)
InChIKeyGUDKNDQJDSEZLE-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.17
Rot. Bonds4

About N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide

N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 63049431) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID63049431
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cscn2)c1
InChIInChI=1S/C12H11N3O2S/c13-11(16)9-3-1-2-8(4-9)5-14-12(17)10-6-18-7-15-10/h1-4,6-7H,5H2,(H2,13,16)(H,14,17)
InChIKeyGUDKNDQJDSEZLE-UHFFFAOYSA-N
XLogP1.17
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-carbamothioylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63022697
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 33097528
N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 32637038
4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 32636145
N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 110482292
3-[(prop-2-enoylamino)methyl]benzamide
CID 61250831
1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide
CID 32637465
N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130948300
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 75506058

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 63049431) is N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide is NC(=O)c1cccc(CNC(=O)c2cscn2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GUDKNDQJDSEZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-11(16)9-3-1-2-8(4-9)5-14-12(17)10-6-18-7-15-10/h1-4,6-7H,5H2,(H2,13,16)(H,14,17).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).