N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

C16H18N4O2S — CID 126776676

IUPACN-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cnc(-c3ccncc3)s2)C1=O
InChIInChI=1S/C16H18N4O2S/c1-10(2)20-8-5-12(16(20)22)19-14(21)13-9-18-15(23-13)11-3-6-17-7-4-11/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H,19,21)
InChIKeyVEBMOEUGRLLDOH-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.94
Rot. Bonds4

About N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 126776676) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID126776676
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cnc(-c3ccncc3)s2)C1=O
InChIInChI=1S/C16H18N4O2S/c1-10(2)20-8-5-12(16(20)22)19-14(21)13-9-18-15(23-13)11-3-6-17-7-4-11/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H,19,21)
InChIKeyVEBMOEUGRLLDOH-UHFFFAOYSA-N
XLogP1.94
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 126776676) is N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is CC(C)N1CCC(NC(=O)c2cnc(-c3ccncc3)s2)C1=O.
What is the InChIKey of N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VEBMOEUGRLLDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10(2)20-8-5-12(16(20)22)19-14(21)13-9-18-15(23-13)11-3-6-17-7-4-11/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H,19,21).
What are the key properties of N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126776676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).