2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide

C14H23N3OS — CID 66389764

IUPAC2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2csc(C(C)N)n2)C(C)C1
InChIInChI=1S/C14H23N3OS/c1-8-4-5-11(9(2)6-8)16-13(18)12-7-19-14(17-12)10(3)15/h7-11H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyUMRLEQHHBZYJCB-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.72
Rot. Bonds3

About 2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 66389764) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID66389764
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2csc(C(C)N)n2)C(C)C1
InChIInChI=1S/C14H23N3OS/c1-8-4-5-11(9(2)6-8)16-13(18)12-7-19-14(17-12)10(3)15/h7-11H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyUMRLEQHHBZYJCB-UHFFFAOYSA-N
XLogP2.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 66389764) is 2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide is CC1CCC(NC(=O)c2csc(C(C)N)n2)C(C)C1.
What is the InChIKey of 2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UMRLEQHHBZYJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-8-4-5-11(9(2)6-8)16-13(18)12-7-19-14(17-12)10(3)15/h7-11H,4-6,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).