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

C19H23N5S — CID 133442284

IUPACN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)N(C)Cc1ccccc1CNc1nnc(-c2ccccn2)s1
InChIInChI=1S/C19H23N5S/c1-14(2)24(3)13-16-9-5-4-8-15(16)12-21-19-23-22-18(25-19)17-10-6-7-11-20-17/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyUJOMOHZXKHZOLL-UHFFFAOYSA-N
MW353.50 g/mol
LogP4.05
Rot. Bonds7

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

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133442284) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133442284
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)N(C)Cc1ccccc1CNc1nnc(-c2ccccn2)s1
InChIInChI=1S/C19H23N5S/c1-14(2)24(3)13-16-9-5-4-8-15(16)12-21-19-23-22-18(25-19)17-10-6-7-11-20-17/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyUJOMOHZXKHZOLL-UHFFFAOYSA-N
XLogP4.05
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine 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

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine
CID 60504601
4-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55694926
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186
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
2-methyl-1-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967471
3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 86784838
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733
2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133455211
1-methyl-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861444

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133442284) is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CC(C)N(C)Cc1ccccc1CNc1nnc(-c2ccccn2)s1.
What is the InChIKey of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is UJOMOHZXKHZOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-14(2)24(3)13-16-9-5-4-8-15(16)12-21-19-23-22-18(25-19)17-10-6-7-11-20-17/h4-11,14H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 353.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133442284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).