N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine

C14H18N4S — CID 138052089

IUPACN-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CC(CN)(c3ccccc3)C2)s1
InChIInChI=1S/C14H18N4S/c1-10-17-18-13(19-10)16-12-7-14(8-12,9-15)11-5-3-2-4-6-11/h2-6,12H,7-9,15H2,1H3,(H,16,18)
InChIKeyXIWJYIRYIBBBKQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.32
Rot. Bonds4

About N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 138052089) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID138052089
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CC(CN)(c3ccccc3)C2)s1
InChIInChI=1S/C14H18N4S/c1-10-17-18-13(19-10)16-12-7-14(8-12,9-15)11-5-3-2-4-6-11/h2-6,12H,7-9,15H2,1H3,(H,16,18)
InChIKeyXIWJYIRYIBBBKQ-UHFFFAOYSA-N
XLogP2.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-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 N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 138052089) is N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2CC(CN)(c3ccccc3)C2)s1.
What is the InChIKey of N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XIWJYIRYIBBBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-10-17-18-13(19-10)16-12-7-14(8-12,9-15)11-5-3-2-4-6-11/h2-6,12H,7-9,15H2,1H3,(H,16,18).
What are the key properties of N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 274.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 138052089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).