4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C16H17N3O2S — CID 647572

IUPAC4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H17N3O2S/c1-11-15(22-10-18-11)16(21)17-9-12-4-6-13(7-5-12)19-8-2-3-14(19)20/h4-7,10H,2-3,8-9H2,1H3,(H,17,21)
InChIKeyXGPCBPNAPOYEHP-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.51
Rot. Bonds4

About 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 647572) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID647572
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H17N3O2S/c1-11-15(22-10-18-11)16(21)17-9-12-4-6-13(7-5-12)19-8-2-3-14(19)20/h4-7,10H,2-3,8-9H2,1H3,(H,17,21)
InChIKeyXGPCBPNAPOYEHP-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 647572) is 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XGPCBPNAPOYEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-15(22-10-18-11)16(21)17-9-12-4-6-13(7-5-12)19-8-2-3-14(19)20/h4-7,10H,2-3,8-9H2,1H3,(H,17,21).
What are the key properties of 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 647572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).