4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate

C14H15N2O2S- — CID 9154495

IUPAC4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate
SMILESCc1nc(Nc2ccccc2C(C)C)sc1C(=O)[O-]
InChIInChI=1S/C14H16N2O2S/c1-8(2)10-6-4-5-7-11(10)16-14-15-9(3)12(19-14)13(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18)/p-1
InChIKeyZTZYIBHPHHETQR-UHFFFAOYSA-M
MW275.35 g/mol
LogP2.68
Rot. Bonds4

About 4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate

4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate (PubChem CID 9154495) has the molecular formula C14H15N2O2S- and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate
PubChem CID9154495
Molecular FormulaC14H15N2O2S-
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate
SMILESCc1nc(Nc2ccccc2C(C)C)sc1C(=O)[O-]
InChIInChI=1S/C14H16N2O2S/c1-8(2)10-6-4-5-7-11(10)16-14-15-9(3)12(19-14)13(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18)/p-1
InChIKeyZTZYIBHPHHETQR-UHFFFAOYSA-M
XLogP2.68
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate
CID 9154529
2-[[5-[4-[2,6-di(propan-2-yl)anilino]-3,4-dioxobutanoyl]-4-methyl-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide
CID 21142721
methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916398
2-[2-(difluoromethylsulfanyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569590
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394541
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide
CID 11989886
2-[1-(2-chlorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569922
1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone
CID 47302553
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 53365539

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of 4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate (CID 9154495) is 4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate is Cc1nc(Nc2ccccc2C(C)C)sc1C(=O)[O-].
What is the InChIKey of 4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is ZTZYIBHPHHETQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16N2O2S/c1-8(2)10-6-4-5-7-11(10)16-14-15-9(3)12(19-14)13(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18)/p-1.
What are the key properties of 4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate?
4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 9154495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).