2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid

C12H18N2O2S — CID 62764075

IUPAC2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(C)C2CCCC2)sc1C(=O)O
InChIInChI=1S/C12H18N2O2S/c1-3-9-10(11(15)16)17-12(13-9)14(2)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyDCTXILOUNQYXMV-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.78
Rot. Bonds4

About 2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid

2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62764075) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID62764075
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(C)C2CCCC2)sc1C(=O)O
InChIInChI=1S/C12H18N2O2S/c1-3-9-10(11(15)16)17-12(13-9)14(2)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyDCTXILOUNQYXMV-UHFFFAOYSA-N
XLogP2.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 62764075) is 2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(N(C)C2CCCC2)sc1C(=O)O.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DCTXILOUNQYXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-9-10(11(15)16)17-12(13-9)14(2)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62764075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).