propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate

C16H18N2O3S — CID 110441431

IUPACpropan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCc1cccc(C(=O)Nc2nc(C)c(C(=O)OC(C)C)s2)c1
InChIInChI=1S/C16H18N2O3S/c1-9(2)21-15(20)13-11(4)17-16(22-13)18-14(19)12-7-5-6-10(3)8-12/h5-9H,1-4H3,(H,17,18,19)
InChIKeyJTKCZDZETZOUCR-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.58
Rot. Bonds4

About propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate

propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 110441431) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID110441431
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Namepropan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCc1cccc(C(=O)Nc2nc(C)c(C(=O)OC(C)C)s2)c1
InChIInChI=1S/C16H18N2O3S/c1-9(2)21-15(20)13-11(4)17-16(22-13)18-14(19)12-7-5-6-10(3)8-12/h5-9H,1-4H3,(H,17,18,19)
InChIKeyJTKCZDZETZOUCR-UHFFFAOYSA-N
XLogP3.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[[4-(dimethylamino)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 110444428
4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 3870990
(1-carbamoylcyclohexyl) 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 91170144
ethyl 2-[[(2S)-2-hydroxy-3-[(3-methylbenzoyl)amino]propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 168974433
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468257
2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058766
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide
CID 6457482
propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 110443791
propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108787096
methyl 2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108804689
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate
CID 110439718

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 110441431) is propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate is Cc1cccc(C(=O)Nc2nc(C)c(C(=O)OC(C)C)s2)c1.
What is the InChIKey of propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is JTKCZDZETZOUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-9(2)21-15(20)13-11(4)17-16(22-13)18-14(19)12-7-5-6-10(3)8-12/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 318.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 110441431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).