2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide

C16H20N4O2S — CID 138053549

IUPAC2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C)c1CN(C)C(=O)NCc1nc(C(N)=O)cs1
InChIInChI=1S/C16H20N4O2S/c1-10-5-4-6-11(2)12(10)8-20(3)16(22)18-7-14-19-13(9-23-14)15(17)21/h4-6,9H,7-8H2,1-3H3,(H2,17,21)(H,18,22)
InChIKeyTWWMNGGSXKLPAP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.20
Rot. Bonds5

About 2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide

2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 138053549) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID138053549
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C)c1CN(C)C(=O)NCc1nc(C(N)=O)cs1
InChIInChI=1S/C16H20N4O2S/c1-10-5-4-6-11(2)12(10)8-20(3)16(22)18-7-14-19-13(9-23-14)15(17)21/h4-6,9H,7-8H2,1-3H3,(H2,17,21)(H,18,22)
InChIKeyTWWMNGGSXKLPAP-UHFFFAOYSA-N
XLogP2.20
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 79376567
2-[[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381125
2-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381341
2-[[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380375
1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 47247496
2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119681703
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone
CID 116585460
2-[[(2,3-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380158
ethyl 2-[[(2-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 19864880
2-(2-aminoethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617526
2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381121
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379682

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 138053549) is 2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide is Cc1cccc(C)c1CN(C)C(=O)NCc1nc(C(N)=O)cs1.
What is the InChIKey of 2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is TWWMNGGSXKLPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-5-4-6-11(2)12(10)8-20(3)16(22)18-7-14-19-13(9-23-14)15(17)21/h4-6,9H,7-8H2,1-3H3,(H2,17,21)(H,18,22).
What are the key properties of 2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide?
2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2,6-dimethylphenyl)methyl-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 138053549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).