4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine

C13H22N2S — CID 112642190

IUPAC4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
SMILESCCC1CCCC(N)(Cc2cncs2)CC1
InChIInChI=1S/C13H22N2S/c1-2-11-4-3-6-13(14,7-5-11)8-12-9-15-10-16-12/h9-11H,2-8,14H2,1H3
InChIKeyLFQOKWHLKRYBQK-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.37
Rot. Bonds3

About 4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine

4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine (PubChem CID 112642190) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
PubChem CID112642190
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
SMILESCCC1CCCC(N)(Cc2cncs2)CC1
InChIInChI=1S/C13H22N2S/c1-2-11-4-3-6-13(14,7-5-11)8-12-9-15-10-16-12/h9-11H,2-8,14H2,1H3
InChIKeyLFQOKWHLKRYBQK-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 112642173
1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
CID 112642126
[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine
CID 112645149
2-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 112642174
4-propyl-1-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65086743
1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082267
1-(4-ethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642350
1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64513419
[4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
CID 112645146
4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 165498055
4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 62621420
1-(aminomethyl)-4-ethylcyclohexan-1-amine
CID 43519516

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine (CID 112642190) is 4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine is CCC1CCCC(N)(Cc2cncs2)CC1.
What is the InChIKey of 4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine?
The InChIKey is LFQOKWHLKRYBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-11-4-3-6-13(14,7-5-11)8-12-9-15-10-16-12/h9-11H,2-8,14H2,1H3.
What are the key properties of 4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine?
4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 112642190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).