(3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine

C13H23N3S — CID 105155822

IUPAC(3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCC1CCCC(C(N)c2snnc2C(C)C)C1
InChIInChI=1S/C13H23N3S/c1-8(2)12-13(17-16-15-12)11(14)10-6-4-5-9(3)7-10/h8-11H,4-7,14H2,1-3H3
InChIKeyZCDZIXVXZNYNCK-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.49
Rot. Bonds3

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

(3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105155822) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105155822
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name(3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCC1CCCC(C(N)c2snnc2C(C)C)C1
InChIInChI=1S/C13H23N3S/c1-8(2)12-13(17-16-15-12)11(14)10-6-4-5-9(3)7-10/h8-11H,4-7,14H2,1-3H3
InChIKeyZCDZIXVXZNYNCK-UHFFFAOYSA-N
XLogP3.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105154182
(3,4-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105154428
2-cyclobutyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105151560
cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105133985
cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105100605
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
[2-cyclopentyl-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105299179
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine
CID 105154427
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
[2-cyclopropyl-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105311175
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of (3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105155822) is (3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for (3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is CC1CCCC(C(N)c2snnc2C(C)C)C1.
What is the InChIKey of (3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is ZCDZIXVXZNYNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-8(2)12-13(17-16-15-12)11(14)10-6-4-5-9(3)7-10/h8-11H,4-7,14H2,1-3H3.
What are the key properties of (3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
(3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 253.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105155822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).