N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C16H17N3O2S — CID 51198051

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cnc(NC(=O)c2ccc(CN3CCCC3=O)cc2)s1
InChIInChI=1S/C16H17N3O2S/c1-11-9-17-16(22-11)18-15(21)13-6-4-12(5-7-13)10-19-8-2-3-14(19)20/h4-7,9H,2-3,8,10H2,1H3,(H,17,18,21)
InChIKeyJSOMULDWZSQZNN-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.83
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 51198051) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID51198051
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cnc(NC(=O)c2ccc(CN3CCCC3=O)cc2)s1
InChIInChI=1S/C16H17N3O2S/c1-11-9-17-16(22-11)18-15(21)13-6-4-12(5-7-13)10-19-8-2-3-14(19)20/h4-7,9H,2-3,8,10H2,1H3,(H,17,18,21)
InChIKeyJSOMULDWZSQZNN-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 51198051) is N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1cnc(NC(=O)c2ccc(CN3CCCC3=O)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is JSOMULDWZSQZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-9-17-16(22-11)18-15(21)13-6-4-12(5-7-13)10-19-8-2-3-14(19)20/h4-7,9H,2-3,8,10H2,1H3,(H,17,18,21).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 315.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 51198051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).