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

C17H11BrN6OS — CID 78775297

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1-n1cnnn1
InChIInChI=1S/C17H11BrN6OS/c18-12-5-3-4-11(8-12)14-9-26-17(20-14)21-16(25)13-6-1-2-7-15(13)24-10-19-22-23-24/h1-10H,(H,20,21,25)
InChIKeyDRYWLOWVXUPYEE-UHFFFAOYSA-N
MW427.29 g/mol
LogP3.80
Rot. Bonds4

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

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide (PubChem CID 78775297) has the molecular formula C17H11BrN6OS and a molecular weight of 427.29 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
PubChem CID78775297
Molecular FormulaC17H11BrN6OS
Molecular Weight427.29 g/mol
Exact Mass425.99
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1-n1cnnn1
InChIInChI=1S/C17H11BrN6OS/c18-12-5-3-4-11(8-12)14-9-26-17(20-14)21-16(25)13-6-1-2-7-15(13)24-10-19-22-23-24/h1-10H,(H,20,21,25)
InChIKeyDRYWLOWVXUPYEE-UHFFFAOYSA-N
XLogP3.80
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 8801292
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8871902
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 112762053
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 8918224
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 78775295
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 78803523

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide (CID 78775297) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide is O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is DRYWLOWVXUPYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN6OS/c18-12-5-3-4-11(8-12)14-9-26-17(20-14)21-16(25)13-6-1-2-7-15(13)24-10-19-22-23-24/h1-10H,(H,20,21,25).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 427.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 78775297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).