4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide

C16H22N6OS — CID 70714244

IUPAC4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCc1cc(N2CCCC2)ncn1
InChIInChI=1S/C16H22N6OS/c1-2-5-13-15(24-21-20-13)16(23)17-7-6-12-10-14(19-11-18-12)22-8-3-4-9-22/h10-11H,2-9H2,1H3,(H,17,23)
InChIKeyPQDKRDFOOYYWLK-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.85
Rot. Bonds7

About 4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide

4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 70714244) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID70714244
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCc1cc(N2CCCC2)ncn1
InChIInChI=1S/C16H22N6OS/c1-2-5-13-15(24-21-20-13)16(23)17-7-6-12-10-14(19-11-18-12)22-8-3-4-9-22/h10-11H,2-9H2,1H3,(H,17,23)
InChIKeyPQDKRDFOOYYWLK-UHFFFAOYSA-N
XLogP1.85
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide (CID 70714244) is 4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCc1cc(N2CCCC2)ncn1.
What is the InChIKey of 4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is PQDKRDFOOYYWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-2-5-13-15(24-21-20-13)16(23)17-7-6-12-10-14(19-11-18-12)22-8-3-4-9-22/h10-11H,2-9H2,1H3,(H,17,23).
What are the key properties of 4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide?
4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 70714244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).