1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

C17H15F2N3OS — CID 3848725

IUPAC1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCc1nc(-c2cc(C(N)=O)c(C)n2Cc2c(F)cccc2F)cs1
InChIInChI=1S/C17H15F2N3OS/c1-9-11(17(20)23)6-16(15-8-24-10(2)21-15)22(9)7-12-13(18)4-3-5-14(12)19/h3-6,8H,7H2,1-2H3,(H2,20,23)
InChIKeyDAJHKNFFSUDRNE-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.65
Rot. Bonds4

About 1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (PubChem CID 3848725) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
PubChem CID3848725
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCc1nc(-c2cc(C(N)=O)c(C)n2Cc2c(F)cccc2F)cs1
InChIInChI=1S/C17H15F2N3OS/c1-9-11(17(20)23)6-16(15-8-24-10(2)21-15)22(9)7-12-13(18)4-3-5-14(12)19/h3-6,8H,7H2,1-2H3,(H2,20,23)
InChIKeyDAJHKNFFSUDRNE-UHFFFAOYSA-N
XLogP3.65
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3848733
1-benzyl-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 4598977
2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3847884
5-[2-(ethylamino)-1,3-thiazol-4-yl]-1-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 134082220
ethyl 4-[4-carbamoyl-5-methyl-1-[(3-methylphenyl)methyl]pyrrol-2-yl]-1,3-thiazole-2-carboxylate
CID 3274931
5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-1-[(2,4-difluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3851970
1-[(2,4-difluorophenyl)methyl]-2-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082304
1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3844613
1-[(3,4-difluorophenyl)methyl]-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3859548
1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 4254737
methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]hexanoate
CID 3846325
2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
CID 4598975

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (CID 3848725) is 1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is Cc1nc(-c2cc(C(N)=O)c(C)n2Cc2c(F)cccc2F)cs1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The InChIKey is DAJHKNFFSUDRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c1-9-11(17(20)23)6-16(15-8-24-10(2)21-15)22(9)7-12-13(18)4-3-5-14(12)19/h3-6,8H,7H2,1-2H3,(H2,20,23).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 3848725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).