N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine

C10H17N3S — CID 107648553

IUPACN-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCC(C)C1Nc1nncs1
InChIInChI=1S/C10H17N3S/c1-7-4-3-5-8(2)9(7)12-10-13-11-6-14-10/h6-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyKLJXDUNWDRZZLQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.77
Rot. Bonds2

About N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine

N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648553) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
PubChem CID107648553
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCC(C)C1Nc1nncs1
InChIInChI=1S/C10H17N3S/c1-7-4-3-5-8(2)9(7)12-10-13-11-6-14-10/h6-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyKLJXDUNWDRZZLQ-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine (CID 107648553) is N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine is CC1CCCC(C)C1Nc1nncs1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KLJXDUNWDRZZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-4-3-5-8(2)9(7)12-10-13-11-6-14-10/h6-9H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine?
N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).