3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine

C16H17N5S — CID 133335553

IUPAC3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESc1cc(CNc2nc(C3CC3)ns2)cc(Cn2ccnc2)c1
InChIInChI=1S/C16H17N5S/c1-2-12(8-13(3-1)10-21-7-6-17-11-21)9-18-16-19-15(20-22-16)14-4-5-14/h1-3,6-8,11,14H,4-5,9-10H2,(H,18,19,20)
InChIKeyWOCVWVJCELVVDN-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.27
Rot. Bonds6

About 3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133335553) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133335553
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESc1cc(CNc2nc(C3CC3)ns2)cc(Cn2ccnc2)c1
InChIInChI=1S/C16H17N5S/c1-2-12(8-13(3-1)10-21-7-6-17-11-21)9-18-16-19-15(20-22-16)14-4-5-14/h1-3,6-8,11,14H,4-5,9-10H2,(H,18,19,20)
InChIKeyWOCVWVJCELVVDN-UHFFFAOYSA-N
XLogP3.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine 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 3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine (CID 133335553) is 3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine is c1cc(CNc2nc(C3CC3)ns2)cc(Cn2ccnc2)c1.
What is the InChIKey of 3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is WOCVWVJCELVVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-2-12(8-13(3-1)10-21-7-6-17-11-21)9-18-16-19-15(20-22-16)14-4-5-14/h1-3,6-8,11,14H,4-5,9-10H2,(H,18,19,20).
What are the key properties of 3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 311.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133335553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).