4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid

C10H15N3O3S — CID 62794653

IUPAC4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid
SMILESCc1nc(N)sc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-6-8(17-10(11)12-6)9(16)13(2)5-3-4-7(14)15/h3-5H2,1-2H3,(H2,11,12)(H,14,15)
InChIKeyARVVDZCLMOZYBD-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.97
Rot. Bonds5

About 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid

4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid (PubChem CID 62794653) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid
PubChem CID62794653
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid
SMILESCc1nc(N)sc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-6-8(17-10(11)12-6)9(16)13(2)5-3-4-7(14)15/h3-5H2,1-2H3,(H2,11,12)(H,14,15)
InChIKeyARVVDZCLMOZYBD-UHFFFAOYSA-N
XLogP0.97
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid (CID 62794653) is 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid is Cc1nc(N)sc1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid?
The InChIKey is ARVVDZCLMOZYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6-8(17-10(11)12-6)9(16)13(2)5-3-4-7(14)15/h3-5H2,1-2H3,(H2,11,12)(H,14,15).
What are the key properties of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid?
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid has a molecular weight of 257.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 62794653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).