2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine

C8H9N5S2 — CID 14140374

IUPAC2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine
SMILESCc1ccsc1-c1nnc(N=C(N)N)s1
InChIInChI=1S/C8H9N5S2/c1-4-2-3-14-5(4)6-12-13-8(15-6)11-7(9)10/h2-3H,1H3,(H4,9,10,11,13)
InChIKeyMPEJMPNHHPPAKO-UHFFFAOYSA-N
MW239.33 g/mol
LogP1.48
Rot. Bonds2

About 2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine

2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine (PubChem CID 14140374) has the molecular formula C8H9N5S2 and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine
PubChem CID14140374
Molecular FormulaC8H9N5S2
Molecular Weight239.33 g/mol
Exact Mass239.03
IUPAC Name2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine
SMILESCc1ccsc1-c1nnc(N=C(N)N)s1
InChIInChI=1S/C8H9N5S2/c1-4-2-3-14-5(4)6-12-13-8(15-6)11-7(9)10/h2-3H,1H3,(H4,9,10,11,13)
InChIKeyMPEJMPNHHPPAKO-UHFFFAOYSA-N
XLogP1.48
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine 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-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine?
The IUPAC name of 2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine (CID 14140374) is 2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine.
What is the SMILES notation for 2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine?
The canonical SMILES for 2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine is Cc1ccsc1-c1nnc(N=C(N)N)s1.
What is the InChIKey of 2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine?
The InChIKey is MPEJMPNHHPPAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S2/c1-4-2-3-14-5(4)6-12-13-8(15-6)11-7(9)10/h2-3H,1H3,(H4,9,10,11,13).
What are the key properties of 2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine?
2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine has a molecular weight of 239.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine is sourced from PubChem (CID 14140374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).