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

C14H16N4O2S — CID 110443786

IUPAC2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)N(C)C)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H16N4O2S/c1-9-11(12(19)16-10-7-5-4-6-8-10)21-13(15-9)17-14(20)18(2)3/h4-8H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeyWJRAJTIZTQXDHJ-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.80
Rot. Bonds3

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

2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 110443786) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID110443786
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)N(C)C)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H16N4O2S/c1-9-11(12(19)16-10-7-5-4-6-8-10)21-13(15-9)17-14(20)18(2)3/h4-8H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeyWJRAJTIZTQXDHJ-UHFFFAOYSA-N
XLogP2.80
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylamino)propanoylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110442436
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 144822340
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
4-methyl-N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 46512544
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
1-[4-methyl-5-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]-3-phenylthiourea
CID 24938319
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 110443791
4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897101
2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 108796734

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 110443786) is 2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)N(C)C)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WJRAJTIZTQXDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-11(12(19)16-10-7-5-4-6-8-10)21-13(15-9)17-14(20)18(2)3/h4-8H,1-3H3,(H,16,19)(H,15,17,20).
What are the key properties of 2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110443786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).