6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile

C12H8BrN3S — CID 21255186

IUPAC6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile
SMILESN#Cc1c(Br)c(-c2cccnc2)n2c1CSC2
InChIInChI=1S/C12H8BrN3S/c13-11-9(4-14)10-6-17-7-16(10)12(11)8-2-1-3-15-5-8/h1-3,5H,6-7H2
InChIKeyQATBNMMYJIHNDV-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.39
Rot. Bonds1

About 6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile

6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile (PubChem CID 21255186) has the molecular formula C12H8BrN3S and a molecular weight of 306.19 g/mol. Its IUPAC name is 6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile.

Molecular Properties

Compound Name6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile
PubChem CID21255186
Molecular FormulaC12H8BrN3S
Molecular Weight306.19 g/mol
Exact Mass304.96
IUPAC Name6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile
SMILESN#Cc1c(Br)c(-c2cccnc2)n2c1CSC2
InChIInChI=1S/C12H8BrN3S/c13-11-9(4-14)10-6-17-7-16(10)12(11)8-2-1-3-15-5-8/h1-3,5H,6-7H2
InChIKeyQATBNMMYJIHNDV-UHFFFAOYSA-N
XLogP3.39
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile?
The IUPAC name of 6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile (CID 21255186) is 6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile.
What is the SMILES notation for 6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile?
The canonical SMILES for 6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile is N#Cc1c(Br)c(-c2cccnc2)n2c1CSC2.
What is the InChIKey of 6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile?
The InChIKey is QATBNMMYJIHNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3S/c13-11-9(4-14)10-6-17-7-16(10)12(11)8-2-1-3-15-5-8/h1-3,5H,6-7H2.
What are the key properties of 6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile?
6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile has a molecular weight of 306.19 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile is sourced from PubChem (CID 21255186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).