2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C19H15ClN6OS2 — CID 56529030

IUPAC2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C19H15ClN6OS2/c20-14-6-8-15(9-7-14)26-19(23-24-25-26)29-12-16(27)22-17(18-21-10-11-28-18)13-4-2-1-3-5-13/h1-11,17H,12H2,(H,22,27)
InChIKeyZBBJAQBHAYBXMB-UHFFFAOYSA-N
MW442.96 g/mol
LogP3.77
Rot. Bonds7

About 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56529030) has the molecular formula C19H15ClN6OS2 and a molecular weight of 442.96 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56529030
Molecular FormulaC19H15ClN6OS2
Molecular Weight442.96 g/mol
Exact Mass442.04
IUPAC Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C19H15ClN6OS2/c20-14-6-8-15(9-7-14)26-19(23-24-25-26)29-12-16(27)22-17(18-21-10-11-28-18)13-4-2-1-3-5-13/h1-11,17H,12H2,(H,22,27)
InChIKeyZBBJAQBHAYBXMB-UHFFFAOYSA-N
XLogP3.77
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.96
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56568359
N-[phenyl(1,3-thiazol-2-yl)methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 56523166
N-[1-(3-chlorophenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 18131067
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 8858207
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621321
methyl (2S)-2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methylpentanoate
CID 8684113
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7534488
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4575267
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349
N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46813778

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56529030) is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is O=C(CSc1nnnn1-c1ccc(Cl)cc1)NC(c1ccccc1)c1nccs1.
What is the InChIKey of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is ZBBJAQBHAYBXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6OS2/c20-14-6-8-15(9-7-14)26-19(23-24-25-26)29-12-16(27)22-17(18-21-10-11-28-18)13-4-2-1-3-5-13/h1-11,17H,12H2,(H,22,27).
What are the key properties of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 442.96 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56529030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).