2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid

C12H19N3O3S — CID 113364271

IUPAC2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCCc1cnc(C(C)NC(=O)N(CC)CC(=O)O)s1
InChIInChI=1S/C12H19N3O3S/c1-4-9-6-13-11(19-9)8(3)14-12(18)15(5-2)7-10(16)17/h6,8H,4-5,7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyUUWKGVZBUYXQAF-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.88
Rot. Bonds6

About 2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid

2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 113364271) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID113364271
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCCc1cnc(C(C)NC(=O)N(CC)CC(=O)O)s1
InChIInChI=1S/C12H19N3O3S/c1-4-9-6-13-11(19-9)8(3)14-12(18)15(5-2)7-10(16)17/h6,8H,4-5,7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyUUWKGVZBUYXQAF-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid
CID 113364270
N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide
CID 113387190
2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid
CID 61199222
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 115679847
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
CID 115679317
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 115679370
(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
CID 103833289
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75473245
2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389320

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid (CID 113364271) is 2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid is CCc1cnc(C(C)NC(=O)N(CC)CC(=O)O)s1.
What is the InChIKey of 2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is UUWKGVZBUYXQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-9-6-13-11(19-9)8(3)14-12(18)15(5-2)7-10(16)17/h6,8H,4-5,7H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid?
2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 285.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 113364271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).