4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid

C11H18N2O2S — CID 62963353

IUPAC4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
SMILESCCc1csc(NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C11H18N2O2S/c1-4-8-7-16-10(12-8)13-11(2,3)6-5-9(14)15/h7H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyRVYGHUBKZBAUCM-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.76
Rot. Bonds6

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

4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid (PubChem CID 62963353) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
PubChem CID62963353
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
SMILESCCc1csc(NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C11H18N2O2S/c1-4-8-7-16-10(12-8)13-11(2,3)6-5-9(14)15/h7H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyRVYGHUBKZBAUCM-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methylpentan-2-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488595
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
methyl 3-[2-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039847
2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576122
3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 62963347
4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 62050023
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
3-[2-(2,2-dimethylheptylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488181
3-[(4-ethyl-1,3-thiazol-2-yl)amino]-N-methylpropanamide
CID 62962639
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-phenylpropan-1-ol
CID 105058433
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65028401

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid (CID 62963353) is 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid is CCc1csc(NC(C)(C)CCC(=O)O)n1.
What is the InChIKey of 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid?
The InChIKey is RVYGHUBKZBAUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-8-7-16-10(12-8)13-11(2,3)6-5-9(14)15/h7H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid?
4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62963353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).