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

C16H19ClN2O3S2 — CID 119252744

IUPAC2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)O
InChIInChI=1S/C16H19ClN2O3S2/c1-9(2)5-10(16(21)22)7-18-14(20)6-11-8-23-15(19-11)12-3-4-13(17)24-12/h3-4,8-10H,5-7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyLQGGIHQRDAZHDX-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.93
Rot. Bonds8

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

2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid (PubChem CID 119252744) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
PubChem CID119252744
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)O
InChIInChI=1S/C16H19ClN2O3S2/c1-9(2)5-10(16(21)22)7-18-14(20)6-11-8-23-15(19-11)12-3-4-13(17)24-12/h3-4,8-10H,5-7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyLQGGIHQRDAZHDX-UHFFFAOYSA-N
XLogP3.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499585
2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253437
2-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253619
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide
CID 119509433
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187381
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbutanoic acid
CID 119198929
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]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 86841367
N-(2-amino-2-ethylbutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119643841
(E)-2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]hex-4-enoic acid
CID 120693085
4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 119203701
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid (CID 119252744) is 2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)O.
What is the InChIKey of 2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid?
The InChIKey is LQGGIHQRDAZHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c1-9(2)5-10(16(21)22)7-18-14(20)6-11-8-23-15(19-11)12-3-4-13(17)24-12/h3-4,8-10H,5-7H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid?
2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid has a molecular weight of 386.93 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 119252744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).