1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine

C15H27N3S — CID 107185641

IUPAC1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(C2CCCCC2(C)C)s1
InChIInChI=1S/C15H27N3S/c1-5-12(16-6-2)14-18-17-13(19-14)11-9-7-8-10-15(11,3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyUJSXKCWCVCQGTA-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.28
Rot. Bonds5

About 1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine

1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 107185641) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID107185641
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(C2CCCCC2(C)C)s1
InChIInChI=1S/C15H27N3S/c1-5-12(16-6-2)14-18-17-13(19-14)11-9-7-8-10-15(11,3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyUJSXKCWCVCQGTA-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185646
1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 107185578
1-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 107003570
3-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185500
N-[[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 107185554
1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 106894443
2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 107185607
1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185648
2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
CID 107183813
2-(2-chloroethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
CID 107185456
3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185508
1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 114226762

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine (CID 107185641) is 1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnc(C2CCCCC2(C)C)s1.
What is the InChIKey of 1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is UJSXKCWCVCQGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-12(16-6-2)14-18-17-13(19-14)11-9-7-8-10-15(11,3)4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107185641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).