(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol

C14H24N2OS — CID 105102916

IUPAC(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)C1CC(C)CC(C)C1
InChIInChI=1S/C14H24N2OS/c1-4-5-12-14(18-16-15-12)13(17)11-7-9(2)6-10(3)8-11/h9-11,13,17H,4-8H2,1-3H3
InChIKeyLAYJUEQMLDNORH-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.60
Rot. Bonds4

About (3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol

(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol (PubChem CID 105102916) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol
PubChem CID105102916
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)C1CC(C)CC(C)C1
InChIInChI=1S/C14H24N2OS/c1-4-5-12-14(18-16-15-12)13(17)11-7-9(2)6-10(3)8-11/h9-11,13,17H,4-8H2,1-3H3
InChIKeyLAYJUEQMLDNORH-UHFFFAOYSA-N
XLogP3.60
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
CID 105116403
2-cyclopentyl-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090417
2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105114699
2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol
CID 105111812
(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol
CID 105097477
[(4-methylcyclohexyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105311794
2-propoxy-1-(4-propylthiadiazol-5-yl)ethanol
CID 105111972
2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090310
4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105132854
N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105157142
(3,5-dimethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105102866
3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol
CID 105089797

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of (3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol (CID 105102916) is (3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)C1CC(C)CC(C)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is LAYJUEQMLDNORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-5-12-14(18-16-15-12)13(17)11-7-9(2)6-10(3)8-11/h9-11,13,17H,4-8H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol?
(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 268.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105102916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).