N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide

C14H15N3O2S — CID 71975443

IUPACN-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cscn2)cc1C(=O)N(C)C
InChIInChI=1S/C14H15N3O2S/c1-9-4-5-10(6-11(9)14(19)17(2)3)16-13(18)12-7-20-8-15-12/h4-8H,1-3H3,(H,16,18)
InChIKeyXMEHQRLKHQGYLU-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.41
Rot. Bonds3

About N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide

N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide (PubChem CID 71975443) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide
PubChem CID71975443
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cscn2)cc1C(=O)N(C)C
InChIInChI=1S/C14H15N3O2S/c1-9-4-5-10(6-11(9)14(19)17(2)3)16-13(18)12-7-20-8-15-12/h4-8H,1-3H3,(H,16,18)
InChIKeyXMEHQRLKHQGYLU-UHFFFAOYSA-N
XLogP2.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55143046
5-[(2-chloroacetyl)amino]-N,N,2-trimethylbenzamide
CID 166403824
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 131938859
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119808581
N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 63024254
N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63048189
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide (CID 71975443) is N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2cscn2)cc1C(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XMEHQRLKHQGYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-4-5-10(6-11(9)14(19)17(2)3)16-13(18)12-7-20-8-15-12/h4-8H,1-3H3,(H,16,18).
What are the key properties of N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71975443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).