N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide

C14H16N4O2S — CID 16897397

IUPACN,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(NC(=O)Nc2ccc(C)cc2)nc1C
InChIInChI=1S/C14H16N4O2S/c1-8-4-6-10(7-5-8)17-13(20)18-14-16-9(2)11(21-14)12(19)15-3/h4-7H,1-3H3,(H,15,19)(H2,16,17,18,20)
InChIKeyYATHPRASEGZPHB-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.76
Rot. Bonds3

About N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 16897397) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
PubChem CID16897397
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(NC(=O)Nc2ccc(C)cc2)nc1C
InChIInChI=1S/C14H16N4O2S/c1-8-4-6-10(7-5-8)17-13(20)18-14-16-9(2)11(21-14)12(19)15-3/h4-7H,1-3H3,(H,15,19)(H2,16,17,18,20)
InChIKeyYATHPRASEGZPHB-UHFFFAOYSA-N
XLogP2.76
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(4-methylphenyl)carbamoylamino]-N-propyl-1,3-thiazole-5-carboxamide
CID 16897288
N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897357
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897390
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897770
N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897789
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea
CID 35281693
2-[(4-chlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897658
methyl 4-[[2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16897633
2-[(4-fluorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897753
4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 16897031

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide (CID 16897397) is N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(NC(=O)Nc2ccc(C)cc2)nc1C.
What is the InChIKey of N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is YATHPRASEGZPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-4-6-10(7-5-8)17-13(20)18-14-16-9(2)11(21-14)12(19)15-3/h4-7H,1-3H3,(H,15,19)(H2,16,17,18,20).
What are the key properties of N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).