N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

C13H14N4O2S — CID 110225696

IUPACN-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1nnc(C2CCOC2)s1
InChIInChI=1S/C13H14N4O2S/c1-17(12(18)9-2-5-14-6-3-9)13-16-15-11(20-13)10-4-7-19-8-10/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyGRGPCBDLMBZRSB-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (PubChem CID 110225696) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
PubChem CID110225696
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1nnc(C2CCOC2)s1
InChIInChI=1S/C13H14N4O2S/c1-17(12(18)9-2-5-14-6-3-9)13-16-15-11(20-13)10-4-7-19-8-10/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyGRGPCBDLMBZRSB-UHFFFAOYSA-N
XLogP1.71
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (CID 110225696) is N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is CN(C(=O)c1ccncc1)c1nnc(C2CCOC2)s1.
What is the InChIKey of N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is GRGPCBDLMBZRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-17(12(18)9-2-5-14-6-3-9)13-16-15-11(20-13)10-4-7-19-8-10/h2-3,5-6,10H,4,7-8H2,1H3.
What are the key properties of N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 110225696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).