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

C18H12ClFN6O2S — CID 55777050

IUPAC5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)n1
InChIInChI=1S/C18H12ClFN6O2S/c1-28-16-5-3-11(20)7-12(16)14-8-29-18(22-14)23-17(27)13-6-10(19)2-4-15(13)26-9-21-24-25-26/h2-9H,1H3,(H,22,23,27)
InChIKeyKXZBQYZFIWODFT-UHFFFAOYSA-N
MW430.85 g/mol
LogP3.84
Rot. Bonds5

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

5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide (PubChem CID 55777050) has the molecular formula C18H12ClFN6O2S and a molecular weight of 430.85 g/mol. Its IUPAC name is 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
PubChem CID55777050
Molecular FormulaC18H12ClFN6O2S
Molecular Weight430.85 g/mol
Exact Mass430.04
IUPAC Name5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)n1
InChIInChI=1S/C18H12ClFN6O2S/c1-28-16-5-3-11(20)7-12(16)14-8-29-18(22-14)23-17(27)13-6-10(19)2-4-15(13)26-9-21-24-25-26/h2-9H,1H3,(H,22,23,27)
InChIKeyKXZBQYZFIWODFT-UHFFFAOYSA-N
XLogP3.84
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide (CID 55777050) is 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide is COc1ccc(F)cc1-c1csc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)n1.
What is the InChIKey of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is KXZBQYZFIWODFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN6O2S/c1-28-16-5-3-11(20)7-12(16)14-8-29-18(22-14)23-17(27)13-6-10(19)2-4-15(13)26-9-21-24-25-26/h2-9H,1H3,(H,22,23,27).
What are the key properties of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 430.85 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55777050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).