N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C14H12N4S — CID 141425890

IUPACN-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CN(c2ccccn2)c2nncs2)cc1
InChIInChI=1S/C14H12N4S/c1-2-6-12(7-3-1)10-18(14-17-16-11-19-14)13-8-4-5-9-15-13/h1-9,11H,10H2
InChIKeyOQPJHNSLJHHBIQ-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.27
Rot. Bonds4

About N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 141425890) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID141425890
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC NameN-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CN(c2ccccn2)c2nncs2)cc1
InChIInChI=1S/C14H12N4S/c1-2-6-12(7-3-1)10-18(14-17-16-11-19-14)13-8-4-5-9-15-13/h1-9,11H,10H2
InChIKeyOQPJHNSLJHHBIQ-UHFFFAOYSA-N
XLogP3.27
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 91581925
N-benzyl-N-(2-bromoethyl)-1,3,4-thiadiazol-2-amine
CID 80675397
bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)
CID 139174362
N-methyl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 166600998
4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide
CID 145422995
N'-hydroxy-3-[N-(1,3,4-thiadiazol-2-yl)anilino]propanimidamide
CID 77021390
4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136839
N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine
CID 141046441
4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 173090911
4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19149747
N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 139198538
N-ethyl-5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 134474559

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 141425890) is N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine is c1ccc(CN(c2ccccn2)c2nncs2)cc1.
What is the InChIKey of N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is OQPJHNSLJHHBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-2-6-12(7-3-1)10-18(14-17-16-11-19-14)13-8-4-5-9-15-13/h1-9,11H,10H2.
What are the key properties of N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 268.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 141425890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).