(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine

C14H25N3S — CID 105154182

IUPAC(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCC1CC(C)CC(C(N)c2snnc2C(C)C)C1
InChIInChI=1S/C14H25N3S/c1-8(2)13-14(18-17-16-13)12(15)11-6-9(3)5-10(4)7-11/h8-12H,5-7,15H2,1-4H3
InChIKeyITMKAERMYNWGHN-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.73
Rot. Bonds3

About (3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine

(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105154182) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105154182
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCC1CC(C)CC(C(N)c2snnc2C(C)C)C1
InChIInChI=1S/C14H25N3S/c1-8(2)13-14(18-17-16-13)12(15)11-6-9(3)5-10(4)7-11/h8-12H,5-7,15H2,1-4H3
InChIKeyITMKAERMYNWGHN-UHFFFAOYSA-N
XLogP3.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105155822
(3,4-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105154428
2-cyclobutyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105151560
(3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
CID 114033768
4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
CID 105126748
2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105168462
[2-cyclopropyl-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105311175
[2-cyclopentyl-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105299179
(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol
CID 105102916
1-(4-propan-2-ylthiadiazol-5-yl)prop-2-yn-1-amine
CID 105158202
cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105133985
cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105100605

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of (3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105154182) is (3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is CC1CC(C)CC(C(N)c2snnc2C(C)C)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is ITMKAERMYNWGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-8(2)13-14(18-17-16-13)12(15)11-6-9(3)5-10(4)7-11/h8-12H,5-7,15H2,1-4H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 267.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105154182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).