2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C12H12N4OS2 — CID 949154

IUPAC2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(N)=S)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C12H12N4OS2/c1-7-9(19-12(14-7)16-11(13)18)10(17)15-8-5-3-2-4-6-8/h2-6H,1H3,(H,15,17)(H3,13,14,16,18)
InChIKeyFFCGHMRVDNCOIZ-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.36
Rot. Bonds3

About 2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 949154) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID949154
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(N)=S)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C12H12N4OS2/c1-7-9(19-12(14-7)16-11(13)18)10(17)15-8-5-3-2-4-6-8/h2-6H,1H3,(H,15,17)(H3,13,14,16,18)
InChIKeyFFCGHMRVDNCOIZ-UHFFFAOYSA-N
XLogP2.36
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Metsulfovax
CID 88916
2-Phenylamino-4-methyl-5-acetylthiazole
CID 735838
5-Thiazolecarboxamide, 2-amino-4-methyl-N-(2,4,6-trimethylphenyl)-
CID 210813
N-mesityl-4-methyl-2-(3-phenylureido)thiazole-5-carboxamide
CID 16897096
2-acetamido-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911563
2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 939967
2-(Cyclopropanecarbonyl-amino)-4-methyl-thiazole-5-carboxylic acid o-tolylamide
CID 857264
1-{4-Methyl-2-[(3-methylphenyl)amino]-1,3-thiazol-5-yl}ethan-1-one
CID 1485160
Amicarthiazol
CID 735558
4-Amino-2-(Phenylamino)-1,3-Thiazole-5-Carboxamide
CID 13349420
2-[(tert-butylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21985486
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440658

Frequently Asked Questions

What is the IUPAC name of 2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 949154) is 2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(N)=S)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is FFCGHMRVDNCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-7-9(19-12(14-7)16-11(13)18)10(17)15-8-5-3-2-4-6-8/h2-6H,1H3,(H,15,17)(H3,13,14,16,18).
What are the key properties of 2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamothioylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 949154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).