4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine

C13H22N2S — CID 115879066

IUPAC4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2cscn2)CC1
InChIInChI=1S/C13H22N2S/c1-3-11-4-6-12(7-5-11)15-10(2)13-8-16-9-14-13/h8-12,15H,3-7H2,1-2H3
InChIKeyDUYGFIBNWYXDLI-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.76
Rot. Bonds4

About 4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine

4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 115879066) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID115879066
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2cscn2)CC1
InChIInChI=1S/C13H22N2S/c1-3-11-4-6-12(7-5-11)15-10(2)13-8-16-9-14-13/h8-12,15H,3-7H2,1-2H3
InChIKeyDUYGFIBNWYXDLI-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56721252
1-methyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 53587517
(4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine
CID 164632300
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434412
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434502
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434628
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730469
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730751
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747490
N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 61171215
N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 61171406
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753674

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine (CID 115879066) is 4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine is CCC1CCC(NC(C)c2cscn2)CC1.
What is the InChIKey of 4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is DUYGFIBNWYXDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-11-4-6-12(7-5-11)15-10(2)13-8-16-9-14-13/h8-12,15H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 115879066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).