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

C18H12F2N4OS — CID 50848152

IUPACN-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ccc(F)cc3F)cs2)c2cccnc21
InChIInChI=1S/C18H12F2N4OS/c1-24-8-12(11-3-2-6-21-16(11)24)18-23-15(9-26-18)17(25)22-14-5-4-10(19)7-13(14)20/h2-9H,1H3,(H,22,25)
InChIKeyOUCXGCNNKYIPPM-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.23
Rot. Bonds3

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

N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 50848152) has the molecular formula C18H12F2N4OS and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID50848152
Molecular FormulaC18H12F2N4OS
Molecular Weight370.38 g/mol
Exact Mass370.07
IUPAC NameN-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ccc(F)cc3F)cs2)c2cccnc21
InChIInChI=1S/C18H12F2N4OS/c1-24-8-12(11-3-2-6-21-16(11)24)18-23-15(9-26-18)17(25)22-14-5-4-10(19)7-13(14)20/h2-9H,1H3,(H,22,25)
InChIKeyOUCXGCNNKYIPPM-UHFFFAOYSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide (CID 50848152) is N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)Nc3ccc(F)cc3F)cs2)c2cccnc21.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OUCXGCNNKYIPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4OS/c1-24-8-12(11-3-2-6-21-16(11)24)18-23-15(9-26-18)17(25)22-14-5-4-10(19)7-13(14)20/h2-9H,1H3,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50848152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).