N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine

C15H19N3S2 — CID 79206259

IUPACN-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
SMILESCSc1ccc(-c2nnc(CCCNC3CC3)s2)cc1
InChIInChI=1S/C15H19N3S2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)3-2-10-16-12-6-7-12/h4-5,8-9,12,16H,2-3,6-7,10H2,1H3
InChIKeyVNTDSNNQLNQQGF-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.61
Rot. Bonds7

About N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 79206259) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
PubChem CID79206259
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC NameN-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
SMILESCSc1ccc(-c2nnc(CCCNC3CC3)s2)cc1
InChIInChI=1S/C15H19N3S2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)3-2-10-16-12-6-7-12/h4-5,8-9,12,16H,2-3,6-7,10H2,1H3
InChIKeyVNTDSNNQLNQQGF-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]propan-1-amine
CID 79212726
5-[5-[3-(cyclopropylamino)propyl]-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 107707177
4-[5-[3-(cyclopropylamino)propyl]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 136885721
N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 104786721
2-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 79205794
2-(2-chloroethyl)-5-(4-methylsulfanylphenyl)-1,3,4-thiadiazole
CID 79206364
N-[3-[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 79819466
N-[2-[5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine
CID 107995167
N-[3-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 114376162
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182
N-[3-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 83151255
2-butyl-5-(4-ethylphenyl)-1,3,4-thiadiazole
CID 19880000

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine (CID 79206259) is N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine is CSc1ccc(-c2nnc(CCCNC3CC3)s2)cc1.
What is the InChIKey of N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is VNTDSNNQLNQQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)3-2-10-16-12-6-7-12/h4-5,8-9,12,16H,2-3,6-7,10H2,1H3.
What are the key properties of N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 305.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 79206259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).