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

C14H22N2O2S — CID 79392907

IUPAC2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCCN(c1nc(C(C)C)c(C(=O)O)s1)C1CCCC1
InChIInChI=1S/C14H22N2O2S/c1-4-16(10-7-5-6-8-10)14-15-11(9(2)3)12(19-14)13(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyYPIAXTCHFJKOQM-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.73
Rot. Bonds5

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

2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 79392907) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID79392907
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCCN(c1nc(C(C)C)c(C(=O)O)s1)C1CCCC1
InChIInChI=1S/C14H22N2O2S/c1-4-16(10-7-5-6-8-10)14-15-11(9(2)3)12(19-14)13(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyYPIAXTCHFJKOQM-UHFFFAOYSA-N
XLogP3.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 79392907) is 2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CCN(c1nc(C(C)C)c(C(=O)O)s1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YPIAXTCHFJKOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-16(10-7-5-6-8-10)14-15-11(9(2)3)12(19-14)13(17)18/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 79392907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).