N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide

C20H13F2N3OS — CID 39804997

IUPACN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)c2ccccc2n1
InChIInChI=1S/C20H13F2N3OS/c1-11-9-13(12-5-2-3-8-16(12)23-11)19(26)25-20-24-17(10-27-20)18-14(21)6-4-7-15(18)22/h2-10H,1H3,(H,24,25,26)
InChIKeyQUWXNHOBKXKUFK-UHFFFAOYSA-N
MW381.41 g/mol
LogP5.20
Rot. Bonds3

About N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide

N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide (PubChem CID 39804997) has the molecular formula C20H13F2N3OS and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
PubChem CID39804997
Molecular FormulaC20H13F2N3OS
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC NameN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)c2ccccc2n1
InChIInChI=1S/C20H13F2N3OS/c1-11-9-13(12-5-2-3-8-16(12)23-11)19(26)25-20-24-17(10-27-20)18-14(21)6-4-7-15(18)22/h2-10H,1H3,(H,24,25,26)
InChIKeyQUWXNHOBKXKUFK-UHFFFAOYSA-N
XLogP5.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 18291417
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 2102481
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 46686353
2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 167925938
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 39036652
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 36541524
2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 16562926

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide (CID 39804997) is N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)c2ccccc2n1.
What is the InChIKey of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide?
The InChIKey is QUWXNHOBKXKUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3OS/c1-11-9-13(12-5-2-3-8-16(12)23-11)19(26)25-20-24-17(10-27-20)18-14(21)6-4-7-15(18)22/h2-10H,1H3,(H,24,25,26).
What are the key properties of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide?
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 39804997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).