N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide

C15H20N6O2S — CID 110123830

IUPACN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C15H20N6O2S/c1-10(2)12-13(24-20-19-12)14(22)18-8-15(23)3-6-21(9-15)11-7-16-4-5-17-11/h4-5,7,10,23H,3,6,8-9H2,1-2H3,(H,18,22)
InChIKeyNPFSJGGZGMQFLE-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.82
Rot. Bonds5

About N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide

N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 110123830) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID110123830
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C15H20N6O2S/c1-10(2)12-13(24-20-19-12)14(22)18-8-15(23)3-6-21(9-15)11-7-16-4-5-17-11/h4-5,7,10,23H,3,6,8-9H2,1-2H3,(H,18,22)
InChIKeyNPFSJGGZGMQFLE-UHFFFAOYSA-N
XLogP0.82
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide (CID 110123830) is N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NCC1(O)CCN(c2cnccn2)C1.
What is the InChIKey of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is NPFSJGGZGMQFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-10(2)12-13(24-20-19-12)14(22)18-8-15(23)3-6-21(9-15)11-7-16-4-5-17-11/h4-5,7,10,23H,3,6,8-9H2,1-2H3,(H,18,22).
What are the key properties of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 110123830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).