3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide

C18H14FN3OS — CID 67943742

IUPAC3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
SMILESO=C(Nc1ccn2c1CSC2c1cccnc1)c1cccc(F)c1
InChIInChI=1S/C18H14FN3OS/c19-14-5-1-3-12(9-14)17(23)21-15-6-8-22-16(15)11-24-18(22)13-4-2-7-20-10-13/h1-10,18H,11H2,(H,21,23)
InChIKeyZLBXBNBHVALLAX-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.07
Rot. Bonds3

About 3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide

3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide (PubChem CID 67943742) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
PubChem CID67943742
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
SMILESO=C(Nc1ccn2c1CSC2c1cccnc1)c1cccc(F)c1
InChIInChI=1S/C18H14FN3OS/c19-14-5-1-3-12(9-14)17(23)21-15-6-8-22-16(15)11-24-18(22)13-4-2-7-20-10-13/h1-10,18H,11H2,(H,21,23)
InChIKeyZLBXBNBHVALLAX-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943740
3-benzamido-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide;hydrate
CID 67943731
3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943747
3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943734
phenyl N-cyano-N'-[3-[(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)carbamoyl]phenyl]carbamimidate
CID 88525648
N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21284358
N-(6-methyl-2-pyridinyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21284366
N-[3-(4-methoxyphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285586
ethyl 2-[3-[(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)amino]benzoyl]benzoate
CID 21285567
N-[3-[(E)-N-[2-(methylamino)ethoxy]-C-phenylcarbonimidoyl]phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide;hydrochloride
CID 88502763
N-[2-chloro-5-[(E)-N-(2-morpholin-4-ylethoxy)-C-phenylcarbonimidoyl]phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 88502768
3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127167

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?
The IUPAC name of 3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide (CID 67943742) is 3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide is O=C(Nc1ccn2c1CSC2c1cccnc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?
The InChIKey is ZLBXBNBHVALLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-14-5-1-3-12(9-14)17(23)21-15-6-8-22-16(15)11-24-18(22)13-4-2-7-20-10-13/h1-10,18H,11H2,(H,21,23).
What are the key properties of 3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?
3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide has a molecular weight of 339.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide is sourced from PubChem (CID 67943742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).