N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide

C17H12ClN5OS — CID 155553876

IUPACN-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(Cl)cc2)nn1)Nc1nc2ccccc2s1
InChIInChI=1S/C17H12ClN5OS/c18-12-7-5-11(6-8-12)14-9-23(22-21-14)10-16(24)20-17-19-13-3-1-2-4-15(13)25-17/h1-9H,10H2,(H,19,20,24)
InChIKeyKMOFUBOLXLOOMS-UHFFFAOYSA-N
MW369.84 g/mol
LogP3.85
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide (PubChem CID 155553876) has the molecular formula C17H12ClN5OS and a molecular weight of 369.84 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide
PubChem CID155553876
Molecular FormulaC17H12ClN5OS
Molecular Weight369.84 g/mol
Exact Mass369.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(Cl)cc2)nn1)Nc1nc2ccccc2s1
InChIInChI=1S/C17H12ClN5OS/c18-12-7-5-11(6-8-12)14-9-23(22-21-14)10-16(24)20-17-19-13-3-1-2-4-15(13)25-17/h1-9H,10H2,(H,19,20,24)
InChIKeyKMOFUBOLXLOOMS-UHFFFAOYSA-N
XLogP3.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151039
N-(1,3-Benzothiazol-2-YL)-2-[(1-benzyl-1H-imidazol-2-YL)sulfanyl]acetamide
CID 7150992
N-(benzo[d]thiazol-2-yl)-2-((1-(4-fluorobenzyl)-1H-imidazol-2-yl)thio)acetamide
CID 7151016
N-(1,3-Benzothiazol-2-YL)-2-({1-[(4-chlorophenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151077
2-({1-[(4-Chlorophenyl)methyl]-1H-imidazol-2-YL}sulfanyl)-N-(6-methyl-1,3-benzothiazol-2-YL)acetamide
CID 16031986
2-[4-(4-Chlorophenyl)triazol-1-yl]-1,3-benzothiazole
CID 53299894
N-[6-[5-(benzylamino)-6-chloro-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 122185878
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155518758
2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155547910
N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
CID 155567913
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide
CID 155805856
2-((1-(4-chlorophenyl)-1H-imidazol-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 4147061

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide (CID 155553876) is N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide is O=C(Cn1cc(-c2ccc(Cl)cc2)nn1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide?
The InChIKey is KMOFUBOLXLOOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5OS/c18-12-7-5-11(6-8-12)14-9-23(22-21-14)10-16(24)20-17-19-13-3-1-2-4-15(13)25-17/h1-9H,10H2,(H,19,20,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide has a molecular weight of 369.84 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 155553876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).