N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H10BrN5OS — CID 745575

IUPACN-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H10BrN5OS/c1-16-10(13-14-15-16)18-6-9(17)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H,12,17)
InChIKeyCSIHTKKVRAXMGU-UHFFFAOYSA-N
MW328.20 g/mol
LogP1.70
Rot. Bonds4

About N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 745575) has the molecular formula C10H10BrN5OS and a molecular weight of 328.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID745575
Molecular FormulaC10H10BrN5OS
Molecular Weight328.20 g/mol
Exact Mass326.98
IUPAC NameN-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H10BrN5OS/c1-16-10(13-14-15-16)18-6-9(17)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H,12,17)
InChIKeyCSIHTKKVRAXMGU-UHFFFAOYSA-N
XLogP1.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 980218
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-{4-[2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 647739
N-(3-Acetylamino-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 648551
N-(4-bromo-2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2343370
N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2368202
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-(4-dimethylamino-phenyl)-acetamide
CID 3212954
N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 4879533
N-(4-Dimethylamino-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 855255

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 745575) is N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is CSIHTKKVRAXMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5OS/c1-16-10(13-14-15-16)18-6-9(17)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H,12,17).
What are the key properties of N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 328.20 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 745575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).