2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid

C14H20N2O2S — CID 114358517

IUPAC2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESCC1CCCC(N)(c2nc(C3CC3)c(C(=O)O)s2)C1
InChIInChI=1S/C14H20N2O2S/c1-8-3-2-6-14(15,7-8)13-16-10(9-4-5-9)11(19-13)12(17)18/h8-9H,2-7,15H2,1H3,(H,17,18)
InChIKeyDGLGQPRFDRPSPC-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.08
Rot. Bonds3

About 2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid

2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114358517) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
PubChem CID114358517
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESCC1CCCC(N)(c2nc(C3CC3)c(C(=O)O)s2)C1
InChIInChI=1S/C14H20N2O2S/c1-8-3-2-6-14(15,7-8)13-16-10(9-4-5-9)11(19-13)12(17)18/h8-9H,2-7,15H2,1H3,(H,17,18)
InChIKeyDGLGQPRFDRPSPC-UHFFFAOYSA-N
XLogP3.08
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (CID 114358517) is 2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is CC1CCCC(N)(c2nc(C3CC3)c(C(=O)O)s2)C1.
What is the InChIKey of 2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DGLGQPRFDRPSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-8-3-2-6-14(15,7-8)13-16-10(9-4-5-9)11(19-13)12(17)18/h8-9H,2-7,15H2,1H3,(H,17,18).
What are the key properties of 2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 280.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114358517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).