3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C15H13ClFN3OS — CID 3510010

IUPAC3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2c(F)cccc2Cl)N1c1nccs1
InChIInChI=1S/C15H13ClFN3OS/c16-9-3-1-4-10(17)12(9)13-19-7-2-5-11(19)14(21)20(13)15-18-6-8-22-15/h1,3-4,6,8,11,13H,2,5,7H2
InChIKeyCTQZWXRNQNRTJP-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.45
Rot. Bonds2

About 3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3510010) has the molecular formula C15H13ClFN3OS and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3510010
Molecular FormulaC15H13ClFN3OS
Molecular Weight337.81 g/mol
Exact Mass337.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2c(F)cccc2Cl)N1c1nccs1
InChIInChI=1S/C15H13ClFN3OS/c16-9-3-1-4-10(17)12(9)13-19-7-2-5-11(19)14(21)20(13)15-18-6-8-22-15/h1,3-4,6,8,11,13H,2,5,7H2
InChIKeyCTQZWXRNQNRTJP-UHFFFAOYSA-N
XLogP3.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3510010) is 3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2c(F)cccc2Cl)N1c1nccs1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is CTQZWXRNQNRTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3OS/c16-9-3-1-4-10(17)12(9)13-19-7-2-5-11(19)14(21)20(13)15-18-6-8-22-15/h1,3-4,6,8,11,13H,2,5,7H2.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 337.81 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3510010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).