2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C19H22N6OS — CID 90192123

IUPAC2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1csc(N2CCCC2)n1
InChIInChI=1S/C19H22N6OS/c26-18(15-13-27-19(22-15)24-7-1-2-8-24)21-14-5-10-25(12-14)17-16-4-3-9-23(16)11-6-20-17/h3-4,6,9,11,13-14H,1-2,5,7-8,10,12H2,(H,21,26)/t14-/m0/s1
InChIKeyCNKPVDPAVQVCJP-AWEZNQCLSA-N
MW382.49 g/mol
LogP2.40
Rot. Bonds4

About 2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 90192123) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID90192123
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1csc(N2CCCC2)n1
InChIInChI=1S/C19H22N6OS/c26-18(15-13-27-19(22-15)24-7-1-2-8-24)21-14-5-10-25(12-14)17-16-4-3-9-23(16)11-6-20-17/h3-4,6,9,11,13-14H,1-2,5,7-8,10,12H2,(H,21,26)/t14-/m0/s1
InChIKeyCNKPVDPAVQVCJP-AWEZNQCLSA-N
XLogP2.40
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 90192123) is 2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1csc(N2CCCC2)n1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CNKPVDPAVQVCJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N6OS/c26-18(15-13-27-19(22-15)24-7-1-2-8-24)21-14-5-10-25(12-14)17-16-4-3-9-23(16)11-6-20-17/h3-4,6,9,11,13-14H,1-2,5,7-8,10,12H2,(H,21,26)/t14-/m0/s1.
What are the key properties of 2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90192123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).