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

C18H13FN4OS — CID 11552085

IUPACN-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc(-c2c[nH]c3nccc(F)c23)cs1
InChIInChI=1S/C18H13FN4OS/c19-13-6-7-20-17-16(13)12(9-21-17)14-10-25-18(22-14)23-15(24)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,20,21)(H,22,23,24)
InChIKeyVURWFERCPKSJBB-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.01
Rot. Bonds4

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

N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 11552085) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID11552085
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC NameN-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc(-c2c[nH]c3nccc(F)c23)cs1
InChIInChI=1S/C18H13FN4OS/c19-13-6-7-20-17-16(13)12(9-21-17)14-10-25-18(22-14)23-15(24)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,20,21)(H,22,23,24)
InChIKeyVURWFERCPKSJBB-UHFFFAOYSA-N
XLogP4.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 11566889
N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 11531053
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
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide
CID 11704626
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
N-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 78803762
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 57421983
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide (CID 11552085) is N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nc(-c2c[nH]c3nccc(F)c23)cs1.
What is the InChIKey of N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is VURWFERCPKSJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c19-13-6-7-20-17-16(13)12(9-21-17)14-10-25-18(22-14)23-15(24)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,20,21)(H,22,23,24).
What are the key properties of N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide?
N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 352.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 11552085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).