N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide

C13H11FN6OS — CID 42534569

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESCc1nc(NC(=O)c2cc(F)ccc2-n2cnnn2)sc1C
InChIInChI=1S/C13H11FN6OS/c1-7-8(2)22-13(16-7)17-12(21)10-5-9(14)3-4-11(10)20-6-15-18-19-20/h3-6H,1-2H3,(H,16,17,21)
InChIKeyZAXBGLVZLVQRFM-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.13
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide (PubChem CID 42534569) has the molecular formula C13H11FN6OS and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
PubChem CID42534569
Molecular FormulaC13H11FN6OS
Molecular Weight318.34 g/mol
Exact Mass318.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESCc1nc(NC(=O)c2cc(F)ccc2-n2cnnn2)sc1C
InChIInChI=1S/C13H11FN6OS/c1-7-8(2)22-13(16-7)17-12(21)10-5-9(14)3-4-11(10)20-6-15-18-19-20/h3-6H,1-2H3,(H,16,17,21)
InChIKeyZAXBGLVZLVQRFM-UHFFFAOYSA-N
XLogP2.13
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide (CID 42534569) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide is Cc1nc(NC(=O)c2cc(F)ccc2-n2cnnn2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
The InChIKey is ZAXBGLVZLVQRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6OS/c1-7-8(2)22-13(16-7)17-12(21)10-5-9(14)3-4-11(10)20-6-15-18-19-20/h3-6H,1-2H3,(H,16,17,21).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide has a molecular weight of 318.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42534569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).