N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide

C18H13ClF2N2O3S — CID 55341280

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1OC(F)F
InChIInChI=1S/C18H13ClF2N2O3S/c1-25-14-4-2-3-12(15(14)26-17(20)21)16(24)23-18-22-13(9-27-18)10-5-7-11(19)8-6-10/h2-9,17H,1H3,(H,22,23,24)
InChIKeyPSHWPQIKIZAOCM-UHFFFAOYSA-N
MW410.83 g/mol
LogP5.33
Rot. Bonds6

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 55341280) has the molecular formula C18H13ClF2N2O3S and a molecular weight of 410.83 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
PubChem CID55341280
Molecular FormulaC18H13ClF2N2O3S
Molecular Weight410.83 g/mol
Exact Mass410.03
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1OC(F)F
InChIInChI=1S/C18H13ClF2N2O3S/c1-25-14-4-2-3-12(15(14)26-17(20)21)16(24)23-18-22-13(9-27-18)10-5-7-11(19)8-6-10/h2-9,17H,1H3,(H,22,23,24)
InChIKeyPSHWPQIKIZAOCM-UHFFFAOYSA-N
XLogP5.33
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.83
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 19582579
2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 51158639
2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581346
methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate
CID 7532996
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4008258
2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 51151057
3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 19509508
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide (CID 55341280) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1OC(F)F.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is PSHWPQIKIZAOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O3S/c1-25-14-4-2-3-12(15(14)26-17(20)21)16(24)23-18-22-13(9-27-18)10-5-7-11(19)8-6-10/h2-9,17H,1H3,(H,22,23,24).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 410.83 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 55341280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).