4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

C9H15N3S — CID 130545625

IUPAC4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(c2nncs2)CC1
InChIInChI=1S/C9H15N3S/c1-7-2-4-9(10,5-3-7)8-12-11-6-13-8/h6-7H,2-5,10H2,1H3
InChIKeyBFHUWHAUSSTIAT-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.90
Rot. Bonds1

About 4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (PubChem CID 130545625) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
PubChem CID130545625
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(c2nncs2)CC1
InChIInChI=1S/C9H15N3S/c1-7-2-4-9(10,5-3-7)8-12-11-6-13-8/h6-7H,2-5,10H2,1H3
InChIKeyBFHUWHAUSSTIAT-UHFFFAOYSA-N
XLogP1.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 146382229
4-(1,3,4-Thiadiazol-2-yl)cyclohexan-1-amine
CID 89089331
4-(1,3,4-Thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride
CID 138703987
2-(4-Methylcyclohexyl)-1,3,4-thiadiazole
CID 147802295
3-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 130545612

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (CID 130545625) is 4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is CC1CCC(N)(c2nncs2)CC1.
What is the InChIKey of 4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The InChIKey is BFHUWHAUSSTIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-2-4-9(10,5-3-7)8-12-11-6-13-8/h6-7H,2-5,10H2,1H3.
What are the key properties of 4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
4-methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine has a molecular weight of 197.31 g/mol, XLogP of 1.90, 1 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)cyclohexan-1-amine is sourced from PubChem (CID 130545625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).