2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine

C14H24N4S — CID 19016670

IUPAC2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(N(C2CCCCC2)C2CCCCC2)s1
InChIInChI=1S/C14H24N4S/c15-13-16-17-14(19-13)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,15,16)
InChIKeyRCIMWKWMYSUCTF-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.59
Rot. Bonds3

About 2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine

2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine (PubChem CID 19016670) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine
PubChem CID19016670
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(N(C2CCCCC2)C2CCCCC2)s1
InChIInChI=1S/C14H24N4S/c15-13-16-17-14(19-13)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,15,16)
InChIKeyRCIMWKWMYSUCTF-UHFFFAOYSA-N
XLogP3.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine (CID 19016670) is 2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine is Nc1nnc(N(C2CCCCC2)C2CCCCC2)s1.
What is the InChIKey of 2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is RCIMWKWMYSUCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c15-13-16-17-14(19-13)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,15,16).
What are the key properties of 2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine?
2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 280.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 19016670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).