5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide

C16H12ClN7OS — CID 46438770

IUPAC5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide
SMILESCn1/c(=N/NC(=O)c2cc(Cl)ccc2-n2cnnn2)sc2ccccc21
InChIInChI=1S/C16H12ClN7OS/c1-23-13-4-2-3-5-14(13)26-16(23)20-19-15(25)11-8-10(17)6-7-12(11)24-9-18-21-22-24/h2-9H,1H3,(H,19,25)/b20-16-
InChIKeyROXOCIYLLOISGX-SILNSSARSA-N
MW385.84 g/mol
LogP2.11
Rot. Bonds3

About 5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide

5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide (PubChem CID 46438770) has the molecular formula C16H12ClN7OS and a molecular weight of 385.84 g/mol. Its IUPAC name is 5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide
PubChem CID46438770
Molecular FormulaC16H12ClN7OS
Molecular Weight385.84 g/mol
Exact Mass385.05
IUPAC Name5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide
SMILESCn1/c(=N/NC(=O)c2cc(Cl)ccc2-n2cnnn2)sc2ccccc21
InChIInChI=1S/C16H12ClN7OS/c1-23-13-4-2-3-5-14(13)26-16(23)20-19-15(25)11-8-10(17)6-7-12(11)24-9-18-21-22-24/h2-9H,1H3,(H,19,25)/b20-16-
InChIKeyROXOCIYLLOISGX-SILNSSARSA-N
XLogP2.11
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 55668878
2,5-dichloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiophene-3-carboxamide
CID 7087730
1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide
CID 55756003
5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide
CID 32609786
5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 39894608
4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 75490916
3,4-dimethyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-5-sulfamoylbenzamide
CID 78828217
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide
CID 60550796
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide
CID 39989934
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
2-chloro-5-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
CID 55674423
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide (CID 46438770) is 5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide is Cn1/c(=N/NC(=O)c2cc(Cl)ccc2-n2cnnn2)sc2ccccc21.
What is the InChIKey of 5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide?
The InChIKey is ROXOCIYLLOISGX-SILNSSARSA-N. The full InChI is InChI=1S/C16H12ClN7OS/c1-23-13-4-2-3-5-14(13)26-16(23)20-19-15(25)11-8-10(17)6-7-12(11)24-9-18-21-22-24/h2-9H,1H3,(H,19,25)/b20-16-.
What are the key properties of 5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide?
5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide has a molecular weight of 385.84 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46438770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).