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

C16H17N7O2S — CID 60551181

IUPAC4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(C)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)s1
InChIInChI=1S/C16H17N7O2S/c1-3-4-13-18-10(2)14(26-13)16(25)20-19-15(24)11-5-7-12(8-6-11)23-9-17-21-22-23/h5-9H,3-4H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyMFAQVBJBMYUAIY-UHFFFAOYSA-N
MW371.43 g/mol
LogP1.45
Rot. Bonds5

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

4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 60551181) has the molecular formula C16H17N7O2S and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
PubChem CID60551181
Molecular FormulaC16H17N7O2S
Molecular Weight371.43 g/mol
Exact Mass371.12
IUPAC Name4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(C)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)s1
InChIInChI=1S/C16H17N7O2S/c1-3-4-13-18-10(2)14(26-13)16(25)20-19-15(24)11-5-7-12(8-6-11)23-9-17-21-22-23/h5-9H,3-4H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyMFAQVBJBMYUAIY-UHFFFAOYSA-N
XLogP1.45
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.45
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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Related Compounds

4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 29491918
4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide
CID 31261165
2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30878039
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide
CID 55691433
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
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-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide (CID 60551181) is 4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide is CCCc1nc(C)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)s1.
What is the InChIKey of 4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is MFAQVBJBMYUAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2S/c1-3-4-13-18-10(2)14(26-13)16(25)20-19-15(24)11-5-7-12(8-6-11)23-9-17-21-22-23/h5-9H,3-4H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of 4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide?
4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 371.43 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 60551181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).