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

C14H14N4OS — CID 3235763

IUPAC3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2cccnc2)N1c1nccs1
InChIInChI=1S/C14H14N4OS/c19-13-11-4-2-7-17(11)12(10-3-1-5-15-9-10)18(13)14-16-6-8-20-14/h1,3,5-6,8-9,11-12H,2,4,7H2
InChIKeyQSMKITWZKQJBGZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.05
Rot. Bonds2

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

3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3235763) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3235763
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2cccnc2)N1c1nccs1
InChIInChI=1S/C14H14N4OS/c19-13-11-4-2-7-17(11)12(10-3-1-5-15-9-10)18(13)14-16-6-8-20-14/h1,3,5-6,8-9,11-12H,2,4,7H2
InChIKeyQSMKITWZKQJBGZ-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,7aS)-3-(3-methylphenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686309
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 3235752
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
4-(2-pyridin-3-ylpyrrolidin-1-yl)cyclohexan-1-ol
CID 114762411
3-(4-bromophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 20856698
(3S,7aR)-2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 11875197
2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 18553463
3-(4-fluorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 4647029

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3235763) is 3-pyridin-3-yl-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-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2cccnc2)N1c1nccs1.
What is the InChIKey of 3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is QSMKITWZKQJBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c19-13-11-4-2-7-17(11)12(10-3-1-5-15-9-10)18(13)14-16-6-8-20-14/h1,3,5-6,8-9,11-12H,2,4,7H2.
What are the key properties of 3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 286.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3235763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).