4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide

C14H17N5O2S — CID 120939549

IUPAC4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2nnc(-c3ccccn3)s2)CCOCC1
InChIInChI=1S/C14H17N5O2S/c15-9-14(4-7-21-8-5-14)12(20)17-13-19-18-11(22-13)10-3-1-2-6-16-10/h1-3,6H,4-5,7-9,15H2,(H,17,19,20)
InChIKeyLHTWDFKCDNKWQV-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.29
Rot. Bonds4

About 4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide (PubChem CID 120939549) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
PubChem CID120939549
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2nnc(-c3ccccn3)s2)CCOCC1
InChIInChI=1S/C14H17N5O2S/c15-9-14(4-7-21-8-5-14)12(20)17-13-19-18-11(22-13)10-3-1-2-6-16-10/h1-3,6H,4-5,7-9,15H2,(H,17,19,20)
InChIKeyLHTWDFKCDNKWQV-UHFFFAOYSA-N
XLogP1.29
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide (CID 120939549) is 4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide is NCC1(C(=O)Nc2nnc(-c3ccccn3)s2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide?
The InChIKey is LHTWDFKCDNKWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c15-9-14(4-7-21-8-5-14)12(20)17-13-19-18-11(22-13)10-3-1-2-6-16-10/h1-3,6H,4-5,7-9,15H2,(H,17,19,20).
What are the key properties of 4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 120939549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).