N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide

C12H10FN3OS — CID 82194073

IUPACN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide
SMILESO=C(Nc1nc2c(s1)CNC2)c1ccccc1F
InChIInChI=1S/C12H10FN3OS/c13-8-4-2-1-3-7(8)11(17)16-12-15-9-5-14-6-10(9)18-12/h1-4,14H,5-6H2,(H,15,16,17)
InChIKeyKVHWBZAJNAJUIL-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.14
Rot. Bonds2

About N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide

N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide (PubChem CID 82194073) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide
PubChem CID82194073
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide
SMILESO=C(Nc1nc2c(s1)CNC2)c1ccccc1F
InChIInChI=1S/C12H10FN3OS/c13-8-4-2-1-3-7(8)11(17)16-12-15-9-5-14-6-10(9)18-12/h1-4,14H,5-6H2,(H,15,16,17)
InChIKeyKVHWBZAJNAJUIL-UHFFFAOYSA-N
XLogP2.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-2-carboxamide
CID 82194079
1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea
CID 82194100
2-ethyl-6-fluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 167759087
2-ethoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593369
2,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593378
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide
CID 82194091
2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108749742
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768
N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide
CID 171976934
2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 82799082
4-chloro-2-hydroxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593292

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide (CID 82194073) is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide is O=C(Nc1nc2c(s1)CNC2)c1ccccc1F.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide?
The InChIKey is KVHWBZAJNAJUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c13-8-4-2-1-3-7(8)11(17)16-12-15-9-5-14-6-10(9)18-12/h1-4,14H,5-6H2,(H,15,16,17).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide?
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 82194073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).