[4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine

C10H17N3S — CID 130544797

IUPAC[4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nncs2)CC1
InChIInChI=1S/C10H17N3S/c1-8-2-4-10(6-11,5-3-8)9-13-12-7-14-9/h7-8H,2-6,11H2,1H3
InChIKeyFIUMWSHNHSPJIB-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.94
Rot. Bonds2

About [4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine

[4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine (PubChem CID 130544797) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is [4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine
PubChem CID130544797
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name[4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nncs2)CC1
InChIInChI=1S/C10H17N3S/c1-8-2-4-10(6-11,5-3-8)9-13-12-7-14-9/h7-8H,2-6,11H2,1H3
InChIKeyFIUMWSHNHSPJIB-UHFFFAOYSA-N
XLogP1.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Ethylcyclohexyl)-1,3,4-thiadiazole
CID 68309407
2-(4-Propan-2-ylcyclohexyl)-1,3,4-thiadiazole
CID 139316357
[5-(4-Tert-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65725954
3-[5-(4-Tert-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726814
2-[5-(4-Butylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65727475
2-[5-(4-Tert-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65728729
2-[5-(4-Methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81879439
[5-(1-Methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 106829273
3-[5-(1-Methylcyclohexyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 106829274
2-[5-(1-Methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 106829277
[1-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine
CID 130544637
[2-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine
CID 131043383

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine (CID 130544797) is [4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine is CC1CCC(CN)(c2nncs2)CC1.
What is the InChIKey of [4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine?
The InChIKey is FIUMWSHNHSPJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-2-4-10(6-11,5-3-8)9-13-12-7-14-9/h7-8H,2-6,11H2,1H3.
What are the key properties of [4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine?
[4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 130544797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).