4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide

C19H15N7O2S — CID 29491918

IUPAC4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H15N7O2S/c1-12-16(29-19(21-12)14-5-3-2-4-6-14)18(28)23-22-17(27)13-7-9-15(10-8-13)26-11-20-24-25-26/h2-11H,1H3,(H,22,27)(H,23,28)
InChIKeyKLWPTERMJQKODQ-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.17
Rot. Bonds4

About 4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide

4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 29491918) has the molecular formula C19H15N7O2S and a molecular weight of 405.44 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
PubChem CID29491918
Molecular FormulaC19H15N7O2S
Molecular Weight405.44 g/mol
Exact Mass405.10
IUPAC Name4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H15N7O2S/c1-12-16(29-19(21-12)14-5-3-2-4-6-14)18(28)23-22-17(27)13-7-9-15(10-8-13)26-11-20-24-25-26/h2-11H,1H3,(H,22,27)(H,23,28)
InChIKeyKLWPTERMJQKODQ-UHFFFAOYSA-N
XLogP2.17
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide (CID 29491918) is 4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is KLWPTERMJQKODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O2S/c1-12-16(29-19(21-12)14-5-3-2-4-6-14)18(28)23-22-17(27)13-7-9-15(10-8-13)26-11-20-24-25-26/h2-11H,1H3,(H,22,27)(H,23,28).
What are the key properties of 4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide?
4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 405.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 29491918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).