2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid

C15H16ClNO2S — CID 94761338

IUPAC2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C(C)(C)Cc2ccc(Cl)cc2)sc1C(=O)O
InChIInChI=1S/C15H16ClNO2S/c1-9-12(13(18)19)20-14(17-9)15(2,3)8-10-4-6-11(16)7-5-10/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyUWVKFGJLPFDCLZ-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.32
Rot. Bonds4

About 2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 94761338) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID94761338
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C(C)(C)Cc2ccc(Cl)cc2)sc1C(=O)O
InChIInChI=1S/C15H16ClNO2S/c1-9-12(13(18)19)20-14(17-9)15(2,3)8-10-4-6-11(16)7-5-10/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyUWVKFGJLPFDCLZ-UHFFFAOYSA-N
XLogP4.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765645
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
2-(1,1-difluoroethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 146589738
2-[(E)-2-(4-chlorophenyl)ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 6213121
5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid
CID 82155440
(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
CID 130693679
2-chloro-2-[(4-chlorophenyl)methyl]propanedioic acid
CID 122378563
2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 67684501
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
2-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9158618
2-[(2R)-2-benzamidobutan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 124736642
4-[(4-chlorophenyl)methyl]-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226937

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 94761338) is 2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(C(C)(C)Cc2ccc(Cl)cc2)sc1C(=O)O.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is UWVKFGJLPFDCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-9-12(13(18)19)20-14(17-9)15(2,3)8-10-4-6-11(16)7-5-10/h4-7H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 309.82 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94761338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).