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

C9H15N3S — CID 175819755

IUPACN-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCNC1CCC(c2nncs2)CC1
InChIInChI=1S/C9H15N3S/c1-10-8-4-2-7(3-5-8)9-12-11-6-13-9/h6-8,10H,2-5H2,1H3
InChIKeyGEBQUFICGXWWCO-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.78
Rot. Bonds2

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

N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (PubChem CID 175819755) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
PubChem CID175819755
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCNC1CCC(c2nncs2)CC1
InChIInChI=1S/C9H15N3S/c1-10-8-4-2-7(3-5-8)9-12-11-6-13-9/h6-8,10H,2-5H2,1H3
InChIKeyGEBQUFICGXWWCO-UHFFFAOYSA-N
XLogP1.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.78
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-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 82469274
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
4-Fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride
CID 146382228
N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide
CID 146393414
N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 163727078
N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 168724934
N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 175936913
4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine
CID 62578679
4-methyl-N-propyl-3-(1,3,4-thiadiazol-2-yl)pentan-2-amine
CID 64157831
N,4-dimethyl-3-(1,3,4-thiadiazol-2-yl)pentan-2-amine
CID 64158043

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (CID 175819755) is N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is CNC1CCC(c2nncs2)CC1.
What is the InChIKey of N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The InChIKey is GEBQUFICGXWWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-10-8-4-2-7(3-5-8)9-12-11-6-13-9/h6-8,10H,2-5H2,1H3.
What are the key properties of N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine has a molecular weight of 197.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 175819755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).