2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid

C12H19N3O3S — CID 43619432

IUPAC2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(C)(NCC(=O)Nc1nc(C)cs1)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-4-5-12(3,10(17)18)13-6-9(16)15-11-14-8(2)7-19-11/h7,13H,4-6H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyKZXMGKINQSOECF-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.62
Rot. Bonds7

About 2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid

2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid (PubChem CID 43619432) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
PubChem CID43619432
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(C)(NCC(=O)Nc1nc(C)cs1)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-4-5-12(3,10(17)18)13-6-9(16)15-11-14-8(2)7-19-11/h7,13H,4-6H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyKZXMGKINQSOECF-UHFFFAOYSA-N
XLogP1.62
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid with MolForge

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Related Compounds

2-amino-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 60849111
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71986429
2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 81223615
2-[ethyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123515
methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299980
(2R)-2-amino-3-methyl-3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 106442737
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 66224014
2-[tert-butyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269282
N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 5078551
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43037447

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid (CID 43619432) is 2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid is CCCC(C)(NCC(=O)Nc1nc(C)cs1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid?
The InChIKey is KZXMGKINQSOECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-5-12(3,10(17)18)13-6-9(16)15-11-14-8(2)7-19-11/h7,13H,4-6H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid?
2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid has a molecular weight of 285.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 43619432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).