2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide

C13H21N3OS — CID 66376467

IUPAC2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCCC1CCCCC1NC(=O)c1csc(CN)n1
InChIInChI=1S/C13H21N3OS/c1-2-9-5-3-4-6-10(9)16-13(17)11-8-18-12(7-14)15-11/h8-10H,2-7,14H2,1H3,(H,16,17)
InChIKeyRYUZIKJZOCXZDC-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.30
Rot. Bonds4

About 2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 66376467) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID66376467
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCCC1CCCCC1NC(=O)c1csc(CN)n1
InChIInChI=1S/C13H21N3OS/c1-2-9-5-3-4-6-10(9)16-13(17)11-8-18-12(7-14)15-11/h8-10H,2-7,14H2,1H3,(H,16,17)
InChIKeyRYUZIKJZOCXZDC-UHFFFAOYSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119732974
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 103811444
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119611593
2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 103812762
2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 119783085
N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119609820
2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 120630586
6-amino-N-(2-ethylcyclohexyl)pyrazine-2-carboxamide
CID 114035862
2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635817
2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 66376467) is 2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide is CCC1CCCCC1NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RYUZIKJZOCXZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-9-5-3-4-6-10(9)16-13(17)11-8-18-12(7-14)15-11/h8-10H,2-7,14H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).