2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide

C18H12F2N4OS — CID 11566889

IUPAC2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc(-c2c[nH]c3nccc(F)c23)cs1
InChIInChI=1S/C18H12F2N4OS/c19-11-3-1-10(2-4-11)7-15(25)24-18-23-14(9-26-18)12-8-22-17-16(12)13(20)5-6-21-17/h1-6,8-9H,7H2,(H,21,22)(H,23,24,25)
InChIKeyZAVGWERCWDQSIJ-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.15
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide

2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 11566889) has the molecular formula C18H12F2N4OS and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID11566889
Molecular FormulaC18H12F2N4OS
Molecular Weight370.38 g/mol
Exact Mass370.07
IUPAC Name2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc(-c2c[nH]c3nccc(F)c23)cs1
InChIInChI=1S/C18H12F2N4OS/c19-11-3-1-10(2-4-11)7-15(25)24-18-23-14(9-26-18)12-8-22-17-16(12)13(20)5-6-21-17/h1-6,8-9H,7H2,(H,21,22)(H,23,24,25)
InChIKeyZAVGWERCWDQSIJ-UHFFFAOYSA-N
XLogP4.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 11552085
N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 11531053
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]acetamide
CID 11569735
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 46927797
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8839170
2-(4-fluorophenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7597175
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502620
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55630384
2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide
CID 11704626
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (CID 11566889) is 2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1ccc(F)cc1)Nc1nc(-c2c[nH]c3nccc(F)c23)cs1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZAVGWERCWDQSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4OS/c19-11-3-1-10(2-4-11)7-15(25)24-18-23-14(9-26-18)12-8-22-17-16(12)13(20)5-6-21-17/h1-6,8-9H,7H2,(H,21,22)(H,23,24,25).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 370.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11566889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).