N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C26H22F2N4O3S — CID 5174799

IUPACN-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(c3nc(C(=O)Nc4ccc(F)c(F)c4)cs3)CC2)nc2ccccc12
InChIInChI=1S/C26H22F2N4O3S/c1-35-23-13-21(30-20-5-3-2-4-17(20)23)26(34)32-10-8-15(9-11-32)25-31-22(14-36-25)24(33)29-16-6-7-18(27)19(28)12-16/h2-7,12-15H,8-11H2,1H3,(H,29,33)
InChIKeyOOKWTTMXQLTXTF-UHFFFAOYSA-N
MW508.55 g/mol
LogP5.25
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 5174799) has the molecular formula C26H22F2N4O3S and a molecular weight of 508.55 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID5174799
Molecular FormulaC26H22F2N4O3S
Molecular Weight508.55 g/mol
Exact Mass508.14
IUPAC NameN-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(c3nc(C(=O)Nc4ccc(F)c(F)c4)cs3)CC2)nc2ccccc12
InChIInChI=1S/C26H22F2N4O3S/c1-35-23-13-21(30-20-5-3-2-4-17(20)23)26(34)32-10-8-15(9-11-32)25-31-22(14-36-25)24(33)29-16-6-7-18(27)19(28)12-16/h2-7,12-15H,8-11H2,1H3,(H,29,33)
InChIKeyOOKWTTMXQLTXTF-UHFFFAOYSA-N
XLogP5.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.55
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-3-nitrophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3801042
2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-N-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 3860822
methyl 4-[[2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 3849804
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3816873
2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 4990033
N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3482109
N-(3-carbamoyl-4-methylthiophen-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23850800
2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 3860819
N'-(4-ethylbenzoyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3863958
[4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
CID 4987132
N-[[2-(difluoromethoxy)phenyl]methyl]-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3828877
[4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
CID 4987285

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 5174799) is N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is COc1cc(C(=O)N2CCC(c3nc(C(=O)Nc4ccc(F)c(F)c4)cs3)CC2)nc2ccccc12.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is OOKWTTMXQLTXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O3S/c1-35-23-13-21(30-20-5-3-2-4-17(20)23)26(34)32-10-8-15(9-11-32)25-31-22(14-36-25)24(33)29-16-6-7-18(27)19(28)12-16/h2-7,12-15H,8-11H2,1H3,(H,29,33).
What are the key properties of N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 508.55 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5174799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).