4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid

C15H17ClN2O3S2 — CID 119203701

IUPAC4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C15H17ClN2O3S2/c1-15(2,6-5-13(20)21)18-12(19)7-9-8-22-14(17-9)10-3-4-11(16)23-10/h3-4,8H,5-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGCXZQCDEHBZUJC-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.83
Rot. Bonds7

About 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid

4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid (PubChem CID 119203701) has the molecular formula C15H17ClN2O3S2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
PubChem CID119203701
Molecular FormulaC15H17ClN2O3S2
Molecular Weight372.90 g/mol
Exact Mass372.04
IUPAC Name4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C15H17ClN2O3S2/c1-15(2,6-5-13(20)21)18-12(19)7-9-8-22-14(17-9)10-3-4-11(16)23-10/h3-4,8H,5-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGCXZQCDEHBZUJC-UHFFFAOYSA-N
XLogP3.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187381
4-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119203967
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbutanoic acid
CID 119198929
N-(2-amino-2-ethylbutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119643841
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 86841367
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 119137122
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide
CID 119509433
(E)-2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]hex-4-enoic acid
CID 120693085
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119509432
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62366878
2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
CID 119252744
N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499585

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid (CID 119203701) is 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is GCXZQCDEHBZUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S2/c1-15(2,6-5-13(20)21)18-12(19)7-9-8-22-14(17-9)10-3-4-11(16)23-10/h3-4,8H,5-7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid?
4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 372.90 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119203701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).