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

C11H17N3O3S — CID 113364270

IUPAC2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid
SMILESCCc1cnc(C(C)NC(=O)N(C)CC(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-4-8-5-12-10(18-8)7(2)13-11(17)14(3)6-9(15)16/h5,7H,4,6H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyJRKCBNJCDPNERA-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.49
Rot. Bonds5

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

2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid (PubChem CID 113364270) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid
PubChem CID113364270
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid
SMILESCCc1cnc(C(C)NC(=O)N(C)CC(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-4-8-5-12-10(18-8)7(2)13-11(17)14(3)6-9(15)16/h5,7H,4,6H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyJRKCBNJCDPNERA-UHFFFAOYSA-N
XLogP1.49
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 113364271
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75473245
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 115679847
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 113387290
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 115679370
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
CID 115679317
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
CID 103833289
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
1-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115734764

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid (CID 113364270) is 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid is CCc1cnc(C(C)NC(=O)N(C)CC(=O)O)s1.
What is the InChIKey of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid?
The InChIKey is JRKCBNJCDPNERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-8-5-12-10(18-8)7(2)13-11(17)14(3)6-9(15)16/h5,7H,4,6H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid?
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid has a molecular weight of 271.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid is sourced from PubChem (CID 113364270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).