2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid

C12H18N2O2S — CID 80571367

IUPAC2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid
SMILESCC(Nc1ncc(C(=O)O)s1)C1CCCCC1
InChIInChI=1S/C12H18N2O2S/c1-8(9-5-3-2-4-6-9)14-12-13-7-10(17-12)11(15)16/h7-9H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDXNHZPOPEAGDNK-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.22
Rot. Bonds4

About 2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid

2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80571367) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID80571367
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid
SMILESCC(Nc1ncc(C(=O)O)s1)C1CCCCC1
InChIInChI=1S/C12H18N2O2S/c1-8(9-5-3-2-4-6-9)14-12-13-7-10(17-12)11(15)16/h7-9H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDXNHZPOPEAGDNK-UHFFFAOYSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80571509
5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 107372454
2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80571095
2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80572046
2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571238
2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570956
2-(thian-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80612543
2-(thiolan-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80587042
2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 106006443
2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 166333160
2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid
CID 165485403
6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 66450152

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid (CID 80571367) is 2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid is CC(Nc1ncc(C(=O)O)s1)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DXNHZPOPEAGDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(9-5-3-2-4-6-9)14-12-13-7-10(17-12)11(15)16/h7-9H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid?
2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).