5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid

C10H14N2O3S — CID 61282819

IUPAC5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
SMILESCc1nc(CNC(=O)CCCC(=O)O)cs1
InChIInChI=1S/C10H14N2O3S/c1-7-12-8(6-16-7)5-11-9(13)3-2-4-10(14)15/h6H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyJICXJBGFXZNTSU-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.32
Rot. Bonds6

About 5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid

5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid (PubChem CID 61282819) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
PubChem CID61282819
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
SMILESCc1nc(CNC(=O)CCCC(=O)O)cs1
InChIInChI=1S/C10H14N2O3S/c1-7-12-8(6-16-7)5-11-9(13)3-2-4-10(14)15/h6H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyJICXJBGFXZNTSU-UHFFFAOYSA-N
XLogP1.32
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid (CID 61282819) is 5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid is Cc1nc(CNC(=O)CCCC(=O)O)cs1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is JICXJBGFXZNTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-12-8(6-16-7)5-11-9(13)3-2-4-10(14)15/h6H,2-5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid?
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61282819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).