4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

C9H15N3S — CID 82469274

IUPAC4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCc1nnc(C2CCC(N)CC2)s1
InChIInChI=1S/C9H15N3S/c1-6-11-12-9(13-6)7-2-4-8(10)5-3-7/h7-8H,2-5,10H2,1H3
InChIKeyGIGCIKHCQJMHEB-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.83
Rot. Bonds1

About 4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (PubChem CID 82469274) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
PubChem CID82469274
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCc1nnc(C2CCC(N)CC2)s1
InChIInChI=1S/C9H15N3S/c1-6-11-12-9(13-6)7-2-4-8(10)5-3-7/h7-8H,2-5,10H2,1H3
InChIKeyGIGCIKHCQJMHEB-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine
CID 146389300
3-[5-(4,4-Difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81934264
1-[5-[3-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934265
1-[5-[4-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934289
1-[5-(4,4-Difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934290
2-[5-(4,4-Difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934344
1-[5-[3-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81934375
1-[5-[4-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81934398
1-[5-(4,4-Difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81934420
1-[5-[2-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 104622897
1-[5-[2-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 104622898
3-[5-(3,3-Difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 114226756

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (CID 82469274) is 4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is Cc1nnc(C2CCC(N)CC2)s1.
What is the InChIKey of 4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The InChIKey is GIGCIKHCQJMHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6-11-12-9(13-6)7-2-4-8(10)5-3-7/h7-8H,2-5,10H2,1H3.
What are the key properties of 4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine has a molecular weight of 197.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 82469274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).