N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide

C22H18FN3O2S — CID 33077128

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc2c1
InChIInChI=1S/C22H18FN3O2S/c1-12-18(11-15-10-17(28-3)8-9-19(15)24-12)21(27)26-22-25-20(13(2)29-22)14-4-6-16(23)7-5-14/h4-11H,1-3H3,(H,25,26,27)
InChIKeyZZWGNMWELUXETF-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.38
Rot. Bonds4

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 33077128) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide
PubChem CID33077128
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc2c1
InChIInChI=1S/C22H18FN3O2S/c1-12-18(11-15-10-17(28-3)8-9-19(15)24-12)21(27)26-22-25-20(13(2)29-22)14-4-6-16(23)7-5-14/h4-11H,1-3H3,(H,25,26,27)
InChIKeyZZWGNMWELUXETF-UHFFFAOYSA-N
XLogP5.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 60564511
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31122981
4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38915062
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 35540458
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 52670895
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide
CID 19229192

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide (CID 33077128) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc2c1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is ZZWGNMWELUXETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c1-12-18(11-15-10-17(28-3)8-9-19(15)24-12)21(27)26-22-25-20(13(2)29-22)14-4-6-16(23)7-5-14/h4-11H,1-3H3,(H,25,26,27).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 33077128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).