2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid

C12H19N3O3S — CID 55123657

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)Nc1nc(C)c(C)s1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-6-15(12(4,5)9(16)17)11(18)14-10-13-7(2)8(3)19-10/h6H2,1-5H3,(H,16,17)(H,13,14,18)
InChIKeyVWKKCKSYHAADJG-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.48
Rot. Bonds4

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid

2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid (PubChem CID 55123657) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
PubChem CID55123657
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)Nc1nc(C)c(C)s1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-6-15(12(4,5)9(16)17)11(18)14-10-13-7(2)8(3)19-10/h6H2,1-5H3,(H,16,17)(H,13,14,18)
InChIKeyVWKKCKSYHAADJG-UHFFFAOYSA-N
XLogP2.48
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801430
3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 97067116
3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007133
2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid
CID 61466028
2-carbamothioyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylbutanamide
CID 113270546
N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 814106
2-[ethyl-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114128699
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 82802624
2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid
CID 62820587
4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 62048897
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530022

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid (CID 55123657) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid is CCN(C(=O)Nc1nc(C)c(C)s1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is VWKKCKSYHAADJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-6-15(12(4,5)9(16)17)11(18)14-10-13-7(2)8(3)19-10/h6H2,1-5H3,(H,16,17)(H,13,14,18).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid has a molecular weight of 285.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55123657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).