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

C18H13ClF2N2O3S — CID 42993173

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1OC(F)F
InChIInChI=1S/C18H13ClF2N2O3S/c1-25-15-8-10(6-7-14(15)26-17(20)21)16(24)23-18-22-13(9-27-18)11-4-2-3-5-12(11)19/h2-9,17H,1H3,(H,22,23,24)
InChIKeyNRDLYBSUKMFGIG-UHFFFAOYSA-N
MW410.83 g/mol
LogP5.33
Rot. Bonds6

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

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 42993173) has the molecular formula C18H13ClF2N2O3S and a molecular weight of 410.83 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID42993173
Molecular FormulaC18H13ClF2N2O3S
Molecular Weight410.83 g/mol
Exact Mass410.03
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1OC(F)F
InChIInChI=1S/C18H13ClF2N2O3S/c1-25-15-8-10(6-7-14(15)26-17(20)21)16(24)23-18-22-13(9-27-18)11-4-2-3-5-12(11)19/h2-9,17H,1H3,(H,22,23,24)
InChIKeyNRDLYBSUKMFGIG-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-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 26469303
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
4-(difluoromethoxy)-3-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863411
4-(difluoromethoxy)-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2402305
3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 47045225
N-[3-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18899438
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16556958
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 42993173) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1OC(F)F.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is NRDLYBSUKMFGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O3S/c1-25-15-8-10(6-7-14(15)26-17(20)21)16(24)23-18-22-13(9-27-18)11-4-2-3-5-12(11)19/h2-9,17H,1H3,(H,22,23,24).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(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-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 42993173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).