5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

C20H14ClF3N6O2S — CID 55772829

IUPAC5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H14ClF3N6O2S/c1-32-17-8-16(30-10-26-28-29-30)15(21)7-14(17)18(31)27-19-25-9-13(33-19)6-11-3-2-4-12(5-11)20(22,23)24/h2-5,7-10H,6H2,1H3,(H,25,27,31)
InChIKeyKSQBLCLHKVBZBB-UHFFFAOYSA-N
MW494.89 g/mol
LogP4.64
Rot. Bonds6

About 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 55772829) has the molecular formula C20H14ClF3N6O2S and a molecular weight of 494.89 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID55772829
Molecular FormulaC20H14ClF3N6O2S
Molecular Weight494.89 g/mol
Exact Mass494.05
IUPAC Name5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H14ClF3N6O2S/c1-32-17-8-16(30-10-26-28-29-30)15(21)7-14(17)18(31)27-19-25-9-13(33-19)6-11-3-2-4-12(5-11)20(22,23)24/h2-5,7-10H,6H2,1H3,(H,25,27,31)
InChIKeyKSQBLCLHKVBZBB-UHFFFAOYSA-N
XLogP4.64
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.89
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2991114
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 55772897
5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55896465
5-chloro-2-methoxy-4-pyrrol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 56347457
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78888403
5-Chloro-2-methoxy-4-(2-methyl-benzoylamino)-n-thiazol-2-yl-benzamide
CID 11223360
5-chloro-4-[(2-cyclopentylacetyl)amino]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 11349916
5-Chloro-4-(cyclopentanecarbonyl-amino)-2-methoxy-n-thiazol-2-yl-benzamide
CID 11394868
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(tetrazol-1-yl)benzamide
CID 45907530
5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 45908120
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxy-4-pyrrol-1-ylbenzamide
CID 53539444
5-chloro-2-methoxy-4-pyrrol-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 53545184

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 55772829) is 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is KSQBLCLHKVBZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N6O2S/c1-32-17-8-16(30-10-26-28-29-30)15(21)7-14(17)18(31)27-19-25-9-13(33-19)6-11-3-2-4-12(5-11)20(22,23)24/h2-5,7-10H,6H2,1H3,(H,25,27,31).
What are the key properties of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 494.89 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55772829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).