5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C13H24N4S2 — CID 55242214

IUPAC5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(CNC1CCCCC1)Sc1nnc(N(C)C)s1
InChIInChI=1S/C13H24N4S2/c1-10(9-14-11-7-5-4-6-8-11)18-13-16-15-12(19-13)17(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyHHZNWMJFDQCMPX-UHFFFAOYSA-N
MW300.50 g/mol
LogP3.01
Rot. Bonds6

About 5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 55242214) has the molecular formula C13H24N4S2 and a molecular weight of 300.50 g/mol. Its IUPAC name is 5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID55242214
Molecular FormulaC13H24N4S2
Molecular Weight300.50 g/mol
Exact Mass300.14
IUPAC Name5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(CNC1CCCCC1)Sc1nnc(N(C)C)s1
InChIInChI=1S/C13H24N4S2/c1-10(9-14-11-7-5-4-6-8-11)18-13-16-15-12(19-13)17(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyHHZNWMJFDQCMPX-UHFFFAOYSA-N
XLogP3.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 55242214) is 5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CC(CNC1CCCCC1)Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HHZNWMJFDQCMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S2/c1-10(9-14-11-7-5-4-6-8-11)18-13-16-15-12(19-13)17(2)3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 300.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 55242214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).