5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine

C10H17N3OS — CID 80607953

IUPAC5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCC(OCc2nnc(N)s2)CC1
InChIInChI=1S/C10H17N3OS/c1-7-2-4-8(5-3-7)14-6-9-12-13-10(11)15-9/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyMDKUYBVOOWXYJU-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.22
Rot. Bonds3

About 5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine

5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607953) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607953
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCC(OCc2nnc(N)s2)CC1
InChIInChI=1S/C10H17N3OS/c1-7-2-4-8(5-3-7)14-6-9-12-13-10(11)15-9/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyMDKUYBVOOWXYJU-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine (CID 80607953) is 5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine is CC1CCC(OCc2nnc(N)s2)CC1.
What is the InChIKey of 5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MDKUYBVOOWXYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-2-4-8(5-3-7)14-6-9-12-13-10(11)15-9/h7-8H,2-6H2,1H3,(H2,11,13).
What are the key properties of 5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine?
5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 227.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).