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

C11H18N2O2S — CID 62962981

IUPAC2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
SMILESCCc1csc(NC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C11H18N2O2S/c1-4-8-6-16-11(12-8)13-9(10(14)15)5-7(2)3/h6-7,9H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDKCRNMGMZRCXOW-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.62
Rot. Bonds6

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

2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid (PubChem CID 62962981) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
PubChem CID62962981
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
SMILESCCc1csc(NC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C11H18N2O2S/c1-4-8-6-16-11(12-8)13-9(10(14)15)5-7(2)3/h6-7,9H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDKCRNMGMZRCXOW-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 62963347
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 93057158
4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 65270819
2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62961188
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568415
N-(2-chloro-4-methylpentyl)-4-ethyl-1,3-thiazol-2-amine
CID 107156261
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
ethyl 2-[2-[[1-[cyano(methyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 87953242
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid (CID 62962981) is 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid is CCc1csc(NC(CC(C)C)C(=O)O)n1.
What is the InChIKey of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid?
The InChIKey is DKCRNMGMZRCXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-8-6-16-11(12-8)13-9(10(14)15)5-7(2)3/h6-7,9H,4-5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid?
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62962981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).