[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

C14H14ClN3OS — CID 656219

IUPAC[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(Nc2ccccc2Cl)n1)N1CCCC1
InChIInChI=1S/C14H14ClN3OS/c15-10-5-1-2-6-11(10)16-14-17-12(9-20-14)13(19)18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyONAKBAHUXLBOGH-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.78
Rot. Bonds3

About [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 656219) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID656219
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(Nc2ccccc2Cl)n1)N1CCCC1
InChIInChI=1S/C14H14ClN3OS/c15-10-5-1-2-6-11(10)16-14-17-12(9-20-14)13(19)18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyONAKBAHUXLBOGH-UHFFFAOYSA-N
XLogP3.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (CID 656219) is [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1csc(Nc2ccccc2Cl)n1)N1CCCC1.
What is the InChIKey of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ONAKBAHUXLBOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-10-5-1-2-6-11(10)16-14-17-12(9-20-14)13(19)18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8H2,(H,16,17).
What are the key properties of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 307.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 656219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).