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

C12H19N3O3S — CID 63824166

IUPAC2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCc1cscn1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-4-15(12(2,3)10(16)17)11(18)13-6-5-9-7-19-8-14-9/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyBLOMMZOGMCAYOQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.58
Rot. Bonds6

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

2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 63824166) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID63824166
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCc1cscn1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-4-15(12(2,3)10(16)17)11(18)13-6-5-9-7-19-8-14-9/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyBLOMMZOGMCAYOQ-UHFFFAOYSA-N
XLogP1.58
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 80689332
2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821296
2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 114184442
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 115432547
3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 63826251
1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75429969
2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid
CID 79271368
2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63825896
2,2-dimethyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119249357
2-[ethyl-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114128699
1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
CID 115731914

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid (CID 63824166) is 2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NCCc1cscn1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is BLOMMZOGMCAYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-15(12(2,3)10(16)17)11(18)13-6-5-9-7-19-8-14-9/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 285.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 63824166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).