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

C13H8ClF3N6O2S — CID 78888403

IUPAC5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H8ClF3N6O2S/c1-25-9-3-8(23-5-18-21-22-23)7(14)2-6(9)11(24)20-12-19-10(4-26-12)13(15,16)17/h2-5H,1H3,(H,19,20,24)
InChIKeyOMSXNVDLAVTNKJ-UHFFFAOYSA-N
MW404.76 g/mol
LogP3.05
Rot. Bonds4

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

5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 78888403) has the molecular formula C13H8ClF3N6O2S and a molecular weight of 404.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID78888403
Molecular FormulaC13H8ClF3N6O2S
Molecular Weight404.76 g/mol
Exact Mass404.01
IUPAC Name5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H8ClF3N6O2S/c1-25-9-3-8(23-5-18-21-22-23)7(14)2-6(9)11(24)20-12-19-10(4-26-12)13(15,16)17/h2-5H,1H3,(H,19,20,24)
InChIKeyOMSXNVDLAVTNKJ-UHFFFAOYSA-N
XLogP3.05
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.76
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (CID 78888403) is 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is OMSXNVDLAVTNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N6O2S/c1-25-9-3-8(23-5-18-21-22-23)7(14)2-6(9)11(24)20-12-19-10(4-26-12)13(15,16)17/h2-5H,1H3,(H,19,20,24).
What are the key properties of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 404.76 g/mol, XLogP of 3.05, 4 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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 78888403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).