2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide

C12H19N3OS — CID 64825025

IUPAC2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCCc1nccs1
InChIInChI=1S/C12H19N3OS/c13-10-4-2-1-3-9(10)12(16)15-6-5-11-14-7-8-17-11/h7-10H,1-6,13H2,(H,15,16)
InChIKeyVCADSWUVIBSQMN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.32
Rot. Bonds4

About 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide

2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 64825025) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID64825025
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCCc1nccs1
InChIInChI=1S/C12H19N3OS/c13-10-4-2-1-3-9(10)12(16)15-6-5-11-14-7-8-17-11/h7-10H,1-6,13H2,(H,15,16)
InChIKeyVCADSWUVIBSQMN-UHFFFAOYSA-N
XLogP1.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 66237908
1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116579837
2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 114127550
cis-(1S,3R)-3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092307
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816372
2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64816964
1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 115618022
2-amino-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 64822976
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816179
2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 82237387
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 107068174
1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
CID 116508515

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide (CID 64825025) is 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide is NC1CCCCC1C(=O)NCCc1nccs1.
What is the InChIKey of 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is VCADSWUVIBSQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-10-4-2-1-3-9(10)12(16)15-6-5-11-14-7-8-17-11/h7-10H,1-6,13H2,(H,15,16).
What are the key properties of 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64825025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).