N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine

C9H9N3S — CID 862405

IUPACN-methyl-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2ccccc2)s1
InChIInChI=1S/C9H9N3S/c1-10-9-12-11-8(13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12)
InChIKeyKYFFHIGZVFHJIV-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.25
Rot. Bonds2

About N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine

N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 862405) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID862405
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC NameN-methyl-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2ccccc2)s1
InChIInChI=1S/C9H9N3S/c1-10-9-12-11-8(13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12)
InChIKeyKYFFHIGZVFHJIV-UHFFFAOYSA-N
XLogP2.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-phenyl-1,3,4-thiadiazole
CID 219408
5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 848588
2-Amino-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 605582
5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 879437
2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 554208
5-(4-tert-Butylphenyl)-1,3,4-thiadiazol-2-amine
CID 811160
5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine
CID 3093785
5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 554209
5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine
CID 590957
N-(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamide
CID 44571849
Cyclopentyl-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-amine
CID 6491002
1,3,4-Thiadiazole, 2-amino-5-(o-tolyl)-, hydrochloride
CID 11971460

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine (CID 862405) is N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2ccccc2)s1.
What is the InChIKey of N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KYFFHIGZVFHJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-10-9-12-11-8(13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12).
What are the key properties of N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine?
N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 862405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).