2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide

C16H16ClN3O2S — CID 83289000

IUPAC2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide
SMILESO=C(/N=c1/sccn1CC(=O)N1CCCC1)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2S/c17-13-6-2-1-5-12(13)15(22)18-16-20(9-10-23-16)11-14(21)19-7-3-4-8-19/h1-2,5-6,9-10H,3-4,7-8,11H2/b18-16+
InChIKeyQWYZQSZAGCOTPQ-FBMGVBCBSA-N
MW349.84 g/mol
LogP2.57
Rot. Bonds3

About 2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide

2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide (PubChem CID 83289000) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide
PubChem CID83289000
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide
SMILESO=C(/N=c1/sccn1CC(=O)N1CCCC1)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2S/c17-13-6-2-1-5-12(13)15(22)18-16-20(9-10-23-16)11-14(21)19-7-3-4-8-19/h1-2,5-6,9-10H,3-4,7-8,11H2/b18-16+
InChIKeyQWYZQSZAGCOTPQ-FBMGVBCBSA-N
XLogP2.57
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide (CID 83289000) is 2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide is O=C(/N=c1/sccn1CC(=O)N1CCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is QWYZQSZAGCOTPQ-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-13-6-2-1-5-12(13)15(22)18-16-20(9-10-23-16)11-14(21)19-7-3-4-8-19/h1-2,5-6,9-10H,3-4,7-8,11H2/b18-16+.
What are the key properties of 2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide?
2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 349.84 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 83289000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).