N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine

C14H24N2S2 — CID 113278101

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NC(C)c1nc(C)sc1C
InChIInChI=1S/C14H24N2S2/c1-9(14-10(2)18-11(3)16-14)15-12-7-5-6-8-13(12)17-4/h9,12-13,15H,5-8H2,1-4H3
InChIKeyPXROTEJCOQVDPD-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.08
Rot. Bonds4

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 113278101) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID113278101
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NC(C)c1nc(C)sc1C
InChIInChI=1S/C14H24N2S2/c1-9(14-10(2)18-11(3)16-14)15-12-7-5-6-8-13(12)17-4/h9,12-13,15H,5-8H2,1-4H3
InChIKeyPXROTEJCOQVDPD-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81390319
2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103781504
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79862030
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115753114
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43204195
N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786716
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747378
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121342
1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone
CID 43745928
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 103882855

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine (CID 113278101) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NC(C)c1nc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is PXROTEJCOQVDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-9(14-10(2)18-11(3)16-14)15-12-7-5-6-8-13(12)17-4/h9,12-13,15H,5-8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 113278101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).