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

C10H14N2O3S — CID 61281011

IUPAC5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid
SMILESCc1ncc(CNC(=O)CCCC(=O)O)s1
InChIInChI=1S/C10H14N2O3S/c1-7-11-5-8(16-7)6-12-9(13)3-2-4-10(14)15/h5H,2-4,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyJXCXSIMHJLENFX-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.32
Rot. Bonds6

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

5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid (PubChem CID 61281011) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid
PubChem CID61281011
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid
SMILESCc1ncc(CNC(=O)CCCC(=O)O)s1
InChIInChI=1S/C10H14N2O3S/c1-7-11-5-8(16-7)6-12-9(13)3-2-4-10(14)15/h5H,2-4,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyJXCXSIMHJLENFX-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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Related Compounds

5-Oxo-5-[2-(1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 63242399
(2S)-2-amino-3-methyl-5-[methyl(1,3-thiazol-5-ylmethyl)amino]-5-oxopentanoic acid
CID 70076569
(2R)-2-amino-3-methyl-5-[methyl(1,3-thiazol-5-ylmethyl)amino]-5-oxopentanoic acid
CID 70077525
5-Oxo-5-[2-(1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 124019689
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 39855037
6-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-6-oxohexanoic acid
CID 54875978
2-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54875988
5-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid
CID 54876002
2-[(2-Methyl-1,3-thiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 54962424
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54962470
4-[(2-Methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 54963116
1-[(2-Methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54963164

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid (CID 61281011) is 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid is Cc1ncc(CNC(=O)CCCC(=O)O)s1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is JXCXSIMHJLENFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-11-5-8(16-7)6-12-9(13)3-2-4-10(14)15/h5H,2-4,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid?
5-[(2-methyl-1,3-thiazol-5-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-5-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61281011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).