N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide

C17H10F2N6OS — CID 8801292

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1-n1cnnn1
InChIInChI=1S/C17H10F2N6OS/c18-12-6-5-10(7-13(12)19)14-8-27-17(21-14)22-16(26)11-3-1-2-4-15(11)25-9-20-23-24-25/h1-9H,(H,21,22,26)
InChIKeyNFDJTEFTVSCDKF-UHFFFAOYSA-N
MW384.37 g/mol
LogP3.32
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide (PubChem CID 8801292) has the molecular formula C17H10F2N6OS and a molecular weight of 384.37 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
PubChem CID8801292
Molecular FormulaC17H10F2N6OS
Molecular Weight384.37 g/mol
Exact Mass384.06
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1-n1cnnn1
InChIInChI=1S/C17H10F2N6OS/c18-12-6-5-10(7-13(12)19)14-8-27-17(21-14)22-16(26)11-3-1-2-4-15(11)25-9-20-23-24-25/h1-9H,(H,21,22,26)
InChIKeyNFDJTEFTVSCDKF-UHFFFAOYSA-N
XLogP3.32
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 78775297
2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8871902
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 8918224
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 112762053
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 8801401
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 7901254
2-(2-cyanophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 16549637
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 2102582
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24572985

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide (CID 8801292) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is NFDJTEFTVSCDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N6OS/c18-12-6-5-10(7-13(12)19)14-8-27-17(21-14)22-16(26)11-3-1-2-4-15(11)25-9-20-23-24-25/h1-9H,(H,21,22,26).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 384.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 8801292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).