N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C15H14N4S — CID 133468186

IUPACN-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(CNc2nnc(-c3ccccn3)s2)c1
InChIInChI=1S/C15H14N4S/c1-11-5-4-6-12(9-11)10-17-15-19-18-14(20-15)13-7-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyMHRWSCKZDXOJPV-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.52
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133468186) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133468186
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(CNc2nnc(-c3ccccn3)s2)c1
InChIInChI=1S/C15H14N4S/c1-11-5-4-6-12(9-11)10-17-15-19-18-14(20-15)13-7-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyMHRWSCKZDXOJPV-UHFFFAOYSA-N
XLogP3.52
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442121
N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328926
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442284
3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455175
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442225
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399
N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166060910
N,N-dimethyl-N'-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479843
N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 86784838
1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol
CID 133454922

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133468186) is N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is Cc1cccc(CNc2nnc(-c3ccccn3)s2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is MHRWSCKZDXOJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-11-5-4-6-12(9-11)10-17-15-19-18-14(20-15)13-7-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133468186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).