[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine

C10H17N3S — CID 106829273

IUPAC[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC1(c2nnc(CN)s2)CCCCC1
InChIInChI=1S/C10H17N3S/c1-10(5-3-2-4-6-10)9-13-12-8(7-11)14-9/h2-7,11H2,1H3
InChIKeyMSSUTTCBYZSQDB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.22
Rot. Bonds2

About [5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 106829273) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is [5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID106829273
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC1(c2nnc(CN)s2)CCCCC1
InChIInChI=1S/C10H17N3S/c1-10(5-3-2-4-6-10)9-13-12-8(7-11)14-9/h2-7,11H2,1H3
InChIKeyMSSUTTCBYZSQDB-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine (CID 106829273) is [5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine is CC1(c2nnc(CN)s2)CCCCC1.
What is the InChIKey of [5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is MSSUTTCBYZSQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(5-3-2-4-6-10)9-13-12-8(7-11)14-9/h2-7,11H2,1H3.
What are the key properties of [5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 106829273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).