2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid

C14H23N3O3S — CID 115430981

IUPAC2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid
SMILESCCc1nc(NC(=O)NCC(CC)(CC)C(=O)O)sc1C
InChIInChI=1S/C14H23N3O3S/c1-5-10-9(4)21-13(16-10)17-12(20)15-8-14(6-2,7-3)11(18)19/h5-8H2,1-4H3,(H,18,19)(H2,15,16,17,20)
InChIKeyUOGQBMGKKBUPHP-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.03
Rot. Bonds7

About 2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid

2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid (PubChem CID 115430981) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid
PubChem CID115430981
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid
SMILESCCc1nc(NC(=O)NCC(CC)(CC)C(=O)O)sc1C
InChIInChI=1S/C14H23N3O3S/c1-5-10-9(4)21-13(16-10)17-12(20)15-8-14(6-2,7-3)11(18)19/h5-8H2,1-4H3,(H,18,19)(H2,15,16,17,20)
InChIKeyUOGQBMGKKBUPHP-UHFFFAOYSA-N
XLogP3.03
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927766
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 104936659
4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992577
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119295888
(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 107566477
(2S)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 61475554
2-amino-N-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 54953528
cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319449
propan-2-yl N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamate
CID 116654722
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042646
cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092118
4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 64888760

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid (CID 115430981) is 2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid is CCc1nc(NC(=O)NCC(CC)(CC)C(=O)O)sc1C.
What is the InChIKey of 2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid?
The InChIKey is UOGQBMGKKBUPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-10-9(4)21-13(16-10)17-12(20)15-8-14(6-2,7-3)11(18)19/h5-8H2,1-4H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid?
2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid has a molecular weight of 313.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 115430981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).