4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide

C17H13N7O2S2 — CID 46636660

IUPAC4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H13N7O2S2/c25-15(7-13-9-28-17(19-13)12-5-6-27-8-12)20-21-16(26)11-1-3-14(4-2-11)24-10-18-22-23-24/h1-6,8-10H,7H2,(H,20,25)(H,21,26)
InChIKeyXUGILPVUURXPKI-UHFFFAOYSA-N
MW411.47 g/mol
LogP1.85
Rot. Bonds5

About 4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide

4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide (PubChem CID 46636660) has the molecular formula C17H13N7O2S2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
PubChem CID46636660
Molecular FormulaC17H13N7O2S2
Molecular Weight411.47 g/mol
Exact Mass411.06
IUPAC Name4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H13N7O2S2/c25-15(7-13-9-28-17(19-13)12-5-6-27-8-12)20-21-16(26)11-1-3-14(4-2-11)24-10-18-22-23-24/h1-6,8-10H,7H2,(H,20,25)(H,21,26)
InChIKeyXUGILPVUURXPKI-UHFFFAOYSA-N
XLogP1.85
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46651422
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 27864279
3-methoxy-4-propan-2-yloxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46656596
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
CID 31540991
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
CID 34056496
[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 4-(tetrazol-1-yl)benzoate
CID 9455557
1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450030

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
The IUPAC name of 4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide (CID 46636660) is 4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide is O=C(Cc1csc(-c2ccsc2)n1)NNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
The InChIKey is XUGILPVUURXPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O2S2/c25-15(7-13-9-28-17(19-13)12-5-6-27-8-12)20-21-16(26)11-1-3-14(4-2-11)24-10-18-22-23-24/h1-6,8-10H,7H2,(H,20,25)(H,21,26).
What are the key properties of 4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide has a molecular weight of 411.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide is sourced from PubChem (CID 46636660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).