1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine

C14H24N2S — CID 65420508

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2cnc(C)s2)CC1
InChIInChI=1S/C14H24N2S/c1-3-4-12-5-7-14(15,8-6-12)9-13-10-16-11(2)17-13/h10,12H,3-9,15H2,1-2H3
InChIKeyOSZXSHQIBFGQIT-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.68
Rot. Bonds4

About 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 65420508) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine
PubChem CID65420508
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2cnc(C)s2)CC1
InChIInChI=1S/C14H24N2S/c1-3-4-12-5-7-14(15,8-6-12)9-13-10-16-11(2)17-13/h10,12H,3-9,15H2,1-2H3
InChIKeyOSZXSHQIBFGQIT-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65425025
4-propyl-1-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65086743
5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
CID 170152111
[4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
CID 65389989
5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole
CID 79451564
1-(6-methyl-3-pyridinyl)-4-propylcyclohexan-1-amine
CID 63156082
[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
CID 65393632
4-propyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 63774785
1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407468
[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine
CID 164652954
1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 79744545
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine (CID 65420508) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)(Cc2cnc(C)s2)CC1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is OSZXSHQIBFGQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-4-12-5-7-14(15,8-6-12)9-13-10-16-11(2)17-13/h10,12H,3-9,15H2,1-2H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 65420508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).