2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid

C18H19ClN2O3S — CID 146248163

IUPAC2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1csc(-c2ccc(Cl)cc2C2CC2)n1)C(=O)O
InChIInChI=1S/C18H19ClN2O3S/c1-18(2,17(23)24)21-15(22)8-12-9-25-16(20-12)13-6-5-11(19)7-14(13)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyPBWDKCONODDZLH-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.86
Rot. Bonds6

About 2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid

2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid (PubChem CID 146248163) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
PubChem CID146248163
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1csc(-c2ccc(Cl)cc2C2CC2)n1)C(=O)O
InChIInChI=1S/C18H19ClN2O3S/c1-18(2,17(23)24)21-15(22)8-12-9-25-16(20-12)13-6-5-11(19)7-14(13)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyPBWDKCONODDZLH-UHFFFAOYSA-N
XLogP3.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187773
2-[[2-[2-(4-chloro-2-cyclohexa-1,5-dien-1-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 134601622
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187381
4-[[2-(4-chloro-2-piperidin-4-ylphenyl)-1,3-thiazol-4-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 166710730
2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 146248240
ethyl 5-[2-(4-chloro-2-piperidin-4-ylphenyl)-1,3-thiazol-4-yl]-2,2-dimethyl-4-oxopentanoate
CID 161292204
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-ynylacetamide
CID 49015977
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbutanoic acid
CID 119198929
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890262
1-[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119356217
5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 158428908

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid (CID 146248163) is 2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)Cc1csc(-c2ccc(Cl)cc2C2CC2)n1)C(=O)O.
What is the InChIKey of 2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
The InChIKey is PBWDKCONODDZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-18(2,17(23)24)21-15(22)8-12-9-25-16(20-12)13-6-5-11(19)7-14(13)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid has a molecular weight of 378.88 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 146248163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).