2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid

C11H16N2O2S — CID 115423521

IUPAC2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NCC2CCCC2)nc1C(=O)O
InChIInChI=1S/C11H16N2O2S/c1-7-9(10(14)15)13-11(16-7)12-6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyJRYOPCHCXRAQMY-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.75
Rot. Bonds4

About 2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115423521) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115423521
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NCC2CCCC2)nc1C(=O)O
InChIInChI=1S/C11H16N2O2S/c1-7-9(10(14)15)13-11(16-7)12-6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyJRYOPCHCXRAQMY-UHFFFAOYSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526353
methyl 5-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 113306772
ethyl 5-methyl-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526837
2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423281
2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424822
2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423658
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526554
ethyl 5-methyl-2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526634
ethyl 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526599
2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423000
2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 22494322

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115423521) is 2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(NCC2CCCC2)nc1C(=O)O.
What is the InChIKey of 2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is JRYOPCHCXRAQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-9(10(14)15)13-11(16-7)12-6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).