2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine

C15H27N5S — CID 177337752

IUPAC2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine
SMILESCC1CC(Nc2nnc(N)s2)CN(C2CCCCCC2)C1
InChIInChI=1S/C15H27N5S/c1-11-8-12(17-15-19-18-14(16)21-15)10-20(9-11)13-6-4-2-3-5-7-13/h11-13H,2-10H2,1H3,(H2,16,18)(H,17,19)
InChIKeyJHVQUUIDPVOSAZ-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.97
Rot. Bonds3

About 2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine

2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine (PubChem CID 177337752) has the molecular formula C15H27N5S and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine
PubChem CID177337752
Molecular FormulaC15H27N5S
Molecular Weight309.48 g/mol
Exact Mass309.20
IUPAC Name2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine
SMILESCC1CC(Nc2nnc(N)s2)CN(C2CCCCCC2)C1
InChIInChI=1S/C15H27N5S/c1-11-8-12(17-15-19-18-14(16)21-15)10-20(9-11)13-6-4-2-3-5-7-13/h11-13H,2-10H2,1H3,(H2,16,18)(H,17,19)
InChIKeyJHVQUUIDPVOSAZ-UHFFFAOYSA-N
XLogP2.97
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine (CID 177337752) is 2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine is CC1CC(Nc2nnc(N)s2)CN(C2CCCCCC2)C1.
What is the InChIKey of 2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is JHVQUUIDPVOSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5S/c1-11-8-12(17-15-19-18-14(16)21-15)10-20(9-11)13-6-4-2-3-5-7-13/h11-13H,2-10H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine?
2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 309.48 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cycloheptyl-5-methylpiperidin-3-yl)-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 177337752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).