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

C12H9BrN6OS — CID 78775295

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C12H9BrN6OS/c13-9-3-1-2-8(4-9)10-6-21-12(15-10)16-11(20)5-19-7-14-17-18-19/h1-4,6-7H,5H2,(H,15,16,20)
InChIKeyAEMICPYHSGYOOQ-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.20
Rot. Bonds4

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

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 78775295) has the molecular formula C12H9BrN6OS and a molecular weight of 365.22 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID78775295
Molecular FormulaC12H9BrN6OS
Molecular Weight365.22 g/mol
Exact Mass363.97
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C12H9BrN6OS/c13-9-3-1-2-8(4-9)10-6-21-12(15-10)16-11(20)5-19-7-14-17-18-19/h1-4,6-7H,5H2,(H,15,16,20)
InChIKeyAEMICPYHSGYOOQ-UHFFFAOYSA-N
XLogP2.20
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 55370854
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 78775297
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 112760877
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 78851794
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55334183
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78775296
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676953
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 8873123

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (CID 78775295) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is AEMICPYHSGYOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN6OS/c13-9-3-1-2-8(4-9)10-6-21-12(15-10)16-11(20)5-19-7-14-17-18-19/h1-4,6-7H,5H2,(H,15,16,20).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 365.22 g/mol, XLogP of 2.20, 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)acetamide is sourced from PubChem (CID 78775295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).