2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid

C10H15N3O3S — CID 54962820

IUPAC2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCc1nc(C)cs1
InChIInChI=1S/C10H15N3O3S/c1-3-13(5-9(14)15)10(16)11-4-8-12-7(2)6-17-8/h6H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyVKHHCYKZQPPNAQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.07
Rot. Bonds5

About 2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid

2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 54962820) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
PubChem CID54962820
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCc1nc(C)cs1
InChIInChI=1S/C10H15N3O3S/c1-3-13(5-9(14)15)10(16)11-4-8-12-7(2)6-17-8/h6H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyVKHHCYKZQPPNAQ-UHFFFAOYSA-N
XLogP1.07
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 63644619
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94030335
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 51084081
methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate
CID 110481709
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
2-[methyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240803
1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 47247496
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004
2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924
3,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-oxopentanoic acid
CID 62934592
5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
CID 47138313

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid (CID 54962820) is 2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)NCc1nc(C)cs1.
What is the InChIKey of 2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is VKHHCYKZQPPNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-3-13(5-9(14)15)10(16)11-4-8-12-7(2)6-17-8/h6H,3-5H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid?
2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 54962820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).