N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide

C24H16F6N2O3S — CID 11364492

IUPACN-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc3ccccc3s2)cc1OC
InChIInChI=1S/C24H16F6N2O3S/c1-34-18-10-8-14(12-19(18)35-2)32(22-31-17-5-3-4-6-20(17)36-22)21(33)15-9-7-13(23(25,26)27)11-16(15)24(28,29)30/h3-12H,1-2H3
InChIKeyCIOJBQQAWMOGNI-UHFFFAOYSA-N
MW526.46 g/mol
LogP7.33
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide

N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide (PubChem CID 11364492) has the molecular formula C24H16F6N2O3S and a molecular weight of 526.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide
PubChem CID11364492
Molecular FormulaC24H16F6N2O3S
Molecular Weight526.46 g/mol
Exact Mass526.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc3ccccc3s2)cc1OC
InChIInChI=1S/C24H16F6N2O3S/c1-34-18-10-8-14(12-19(18)35-2)32(22-31-17-5-3-4-6-20(17)36-22)21(33)15-9-7-13(23(25,26)27)11-16(15)24(28,29)30/h3-12H,1-2H3
InChIKeyCIOJBQQAWMOGNI-UHFFFAOYSA-N
XLogP7.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.46
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 2349256
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide
CID 11280885
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzamide;N-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazol-2-amine
CID 157050743
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 11419624
2-chloro-N-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 11465553
2-chloro-N-(3,4-dimethoxyphenyl)-N-[6-(sulfonylamino)-1,3-benzothiazol-2-yl]benzamide
CID 87765021
N-(1,3-benzothiazol-2-yl)-N-[3,5-bis(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 2796979
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
CID 4787357
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 26115691
N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2467124
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2526399
N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 9372481

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide (CID 11364492) is N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide is COc1ccc(N(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc3ccccc3s2)cc1OC.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide?
The InChIKey is CIOJBQQAWMOGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O3S/c1-34-18-10-8-14(12-19(18)35-2)32(22-31-17-5-3-4-6-20(17)36-22)21(33)15-9-7-13(23(25,26)27)11-16(15)24(28,29)30/h3-12H,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide?
N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide has a molecular weight of 526.46 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 11364492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).