N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide

C19H14F2N4OS — CID 50848178

IUPACN-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3cc(F)cc(F)c3)cs2)c2cccnc21
InChIInChI=1S/C19H14F2N4OS/c1-25-9-15(14-3-2-4-22-17(14)25)19-24-16(10-27-19)18(26)23-8-11-5-12(20)7-13(21)6-11/h2-7,9-10H,8H2,1H3,(H,23,26)
InChIKeyHFLDSKCFXFIWSY-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.90
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide

N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 50848178) has the molecular formula C19H14F2N4OS and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID50848178
Molecular FormulaC19H14F2N4OS
Molecular Weight384.41 g/mol
Exact Mass384.09
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3cc(F)cc(F)c3)cs2)c2cccnc21
InChIInChI=1S/C19H14F2N4OS/c1-25-9-15(14-3-2-4-22-17(14)25)19-24-16(10-27-19)18(26)23-8-11-5-12(20)7-13(21)6-11/h2-7,9-10H,8H2,1H3,(H,23,26)
InChIKeyHFLDSKCFXFIWSY-UHFFFAOYSA-N
XLogP3.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 50848152
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53173153
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53173158
N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 53173117
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145839
N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159740
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46164923
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066956
N-[(3,5-difluorophenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 143120876
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162886

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide (CID 50848178) is N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NCc3cc(F)cc(F)c3)cs2)c2cccnc21.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HFLDSKCFXFIWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4OS/c1-25-9-15(14-3-2-4-22-17(14)25)19-24-16(10-27-19)18(26)23-8-11-5-12(20)7-13(21)6-11/h2-7,9-10H,8H2,1H3,(H,23,26).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50848178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).