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

C11H16N2O3S — CID 18071993

IUPAC4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCc1ncsc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-6(2)4-8(11(15)16)13-10(14)9-7(3)12-5-17-9/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyRTBKABKYLXVJKB-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.68
Rot. Bonds5

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

4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 18071993) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
PubChem CID18071993
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCc1ncsc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-6(2)4-8(11(15)16)13-10(14)9-7(3)12-5-17-9/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyRTBKABKYLXVJKB-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (CID 18071993) is 4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is Cc1ncsc1C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is RTBKABKYLXVJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-6(2)4-8(11(15)16)13-10(14)9-7(3)12-5-17-9/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 18071993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).