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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Related Compounds

(4-Ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779782
N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-4-ethyl-1,2,3-thiadiazole-5-carboxamide
CID 56867614
(4-Ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 32647366
4-ethyl-N-[2-(pyrazin-2-ylamino)ethyl]thiadiazole-5-carboxamide
CID 40064020
(4-ethylthiadiazol-5-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 56254729
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204193
3-[(4-Propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
CID 65204652
3-[(4-Tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
CID 65204891
N-(5-bromopyrazin-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65563159
1-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70784251
2-(2-{1-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]piperidin-3-yl}-1H-imidazol-1-yl)-N,N-dimethylethanamine
CID 72840951
2-(2-{1-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-piperidinyl}-1H-imidazol-1-yl)-N,N-dimethylethanamine
CID 72926048

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).