N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide

C23H21F2N3O2S — CID 59339498

IUPACN-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)F)c(C(=O)Nc2ccccc2-c2ccc(/C=N\OCC3CC3)cc2)s1
InChIInChI=1S/C23H21F2N3O2S/c1-14-27-20(22(24)25)21(31-14)23(29)28-19-5-3-2-4-18(19)17-10-8-15(9-11-17)12-26-30-13-16-6-7-16/h2-5,8-12,16,22H,6-7,13H2,1H3,(H,28,29)/b26-12-
InChIKeyNSAHXPCXOSLLQP-ZRGSRPPYSA-N
MW441.50 g/mol
LogP6.07
Rot. Bonds8

About N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide

N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59339498) has the molecular formula C23H21F2N3O2S and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID59339498
Molecular FormulaC23H21F2N3O2S
Molecular Weight441.50 g/mol
Exact Mass441.13
IUPAC NameN-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)F)c(C(=O)Nc2ccccc2-c2ccc(/C=N\OCC3CC3)cc2)s1
InChIInChI=1S/C23H21F2N3O2S/c1-14-27-20(22(24)25)21(31-14)23(29)28-19-5-3-2-4-18(19)17-10-8-15(9-11-17)12-26-30-13-16-6-7-16/h2-5,8-12,16,22H,6-7,13H2,1H3,(H,28,29)/b26-12-
InChIKeyNSAHXPCXOSLLQP-ZRGSRPPYSA-N
XLogP6.07
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-N-[2-(4-ethanimidoylphenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide;prop-2-en-1-ol
CID 142907754
N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 58801964
N-[2-(4-chloro-2-methylphenyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 59734714
N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 142763515
2-(3-chloro-4-fluorophenyl)aniline;N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;chloromethane;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride
CID 158216504
N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 21043952
1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide
CID 142109331
N-[2-[4-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 58801962
5-fluoro-1,3-dimethyl-N-[2-[4-(phenylmethoxyiminomethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 74067736
5-fluoro-1,3-dimethyl-N-[2-[4-[(E)-pyridin-2-ylmethoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide
CID 23593921
N-[2-(2-bicyclo[2.2.1]heptanyl)-4-bromophenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 58671524
2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-(2-phenylphenyl)acetamide
CID 78766512

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 59339498) is N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C(F)F)c(C(=O)Nc2ccccc2-c2ccc(/C=N\OCC3CC3)cc2)s1.
What is the InChIKey of N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NSAHXPCXOSLLQP-ZRGSRPPYSA-N. The full InChI is InChI=1S/C23H21F2N3O2S/c1-14-27-20(22(24)25)21(31-14)23(29)28-19-5-3-2-4-18(19)17-10-8-15(9-11-17)12-26-30-13-16-6-7-16/h2-5,8-12,16,22H,6-7,13H2,1H3,(H,28,29)/b26-12-.
What are the key properties of N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59339498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).