N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C13H16N4OS — CID 133455197

IUPACN-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(CC1CCOC1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H16N4OS/c1-17(8-10-5-7-18-9-10)13-16-15-12(19-13)11-4-2-3-6-14-11/h2-4,6,10H,5,7-9H2,1H3
InChIKeyDDMVESXVBKODTE-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.07
Rot. Bonds4

About N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133455197) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133455197
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(CC1CCOC1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H16N4OS/c1-17(8-10-5-7-18-9-10)13-16-15-12(19-13)11-4-2-3-6-14-11/h2-4,6,10H,5,7-9H2,1H3
InChIKeyDDMVESXVBKODTE-UHFFFAOYSA-N
XLogP2.07
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-(oxolan-3-ylmethyl)-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-methyl-5-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133466920
N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467141
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443347
(2R)-N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1446968
2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 71862352
5-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133452062
N-[(2,3-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467107
4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
CID 99703962
N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine
CID 130899262
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133454871
2-methoxy-N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 647177
N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467966

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133455197) is N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CN(CC1CCOC1)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is DDMVESXVBKODTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17(8-10-5-7-18-9-10)13-16-15-12(19-13)11-4-2-3-6-14-11/h2-4,6,10H,5,7-9H2,1H3.
What are the key properties of N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 276.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133455197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).