(3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid

C16H17ClN2O3S — CID 27519165

IUPAC(3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid
SMILESCc1sc(NC(=O)C[C@H](C)CC(=O)O)nc1-c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O3S/c1-9(7-14(21)22)6-13(20)18-16-19-15(10(2)23-16)11-4-3-5-12(17)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,21,22)(H,18,19,20)/t9-/m0/s1
InChIKeyNJIPBJZPBDLRKQ-VIFPVBQESA-N
MW352.84 g/mol
LogP4.21
Rot. Bonds6

About (3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid

(3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 27519165) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is (3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID27519165
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name(3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid
SMILESCc1sc(NC(=O)C[C@H](C)CC(=O)O)nc1-c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O3S/c1-9(7-14(21)22)6-13(20)18-16-19-15(10(2)23-16)11-4-3-5-12(17)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,21,22)(H,18,19,20)/t9-/m0/s1
InChIKeyNJIPBJZPBDLRKQ-VIFPVBQESA-N
XLogP4.21
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid with MolForge

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Related Compounds

N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 19194860
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196756
2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196435
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197427
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2541899
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 19203542
5-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 25262202
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19197239
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 4140632
5-(3-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 62965895
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 19197386
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of (3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid (CID 27519165) is (3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for (3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for (3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid is Cc1sc(NC(=O)C[C@H](C)CC(=O)O)nc1-c1cccc(Cl)c1.
What is the InChIKey of (3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is NJIPBJZPBDLRKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-9(7-14(21)22)6-13(20)18-16-19-15(10(2)23-16)11-4-3-5-12(17)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,21,22)(H,18,19,20)/t9-/m0/s1.
What are the key properties of (3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid?
(3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 352.84 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 27519165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).