4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide

C13H16N6OS — CID 167873619

IUPAC4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCN(Cc2csnn2)CC1
InChIInChI=1S/C13H16N6OS/c14-13(20)11-7-15-2-1-12(11)19-5-3-18(4-6-19)8-10-9-21-17-16-10/h1-2,7,9H,3-6,8H2,(H2,14,20)
InChIKeyROAJSHJYFXOQHJ-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.35
Rot. Bonds4

About 4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide

4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 167873619) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID167873619
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCN(Cc2csnn2)CC1
InChIInChI=1S/C13H16N6OS/c14-13(20)11-7-15-2-1-12(11)19-5-3-18(4-6-19)8-10-9-21-17-16-10/h1-2,7,9H,3-6,8H2,(H2,14,20)
InChIKeyROAJSHJYFXOQHJ-UHFFFAOYSA-N
XLogP0.35
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide (CID 167873619) is 4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnccc1N1CCN(Cc2csnn2)CC1.
What is the InChIKey of 4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is ROAJSHJYFXOQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c14-13(20)11-7-15-2-1-12(11)19-5-3-18(4-6-19)8-10-9-21-17-16-10/h1-2,7,9H,3-6,8H2,(H2,14,20).
What are the key properties of 4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide?
4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167873619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).