1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide

C19H22N8O2S — CID 56553767

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide
SMILESCc1nc(CN2CCC(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cs1
InChIInChI=1S/C19H22N8O2S/c1-13-21-16(11-30-13)10-26-8-6-15(7-9-26)19(29)23-22-18(28)14-2-4-17(5-3-14)27-12-20-24-25-27/h2-5,11-12,15H,6-10H2,1H3,(H,22,28)(H,23,29)
InChIKeyCTIFUILGLJCMEX-UHFFFAOYSA-N
MW426.51 g/mol
LogP1.10
Rot. Bonds5

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide (PubChem CID 56553767) has the molecular formula C19H22N8O2S and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide
PubChem CID56553767
Molecular FormulaC19H22N8O2S
Molecular Weight426.51 g/mol
Exact Mass426.16
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide
SMILESCc1nc(CN2CCC(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cs1
InChIInChI=1S/C19H22N8O2S/c1-13-21-16(11-30-13)10-26-8-6-15(7-9-26)19(29)23-22-18(28)14-2-4-17(5-3-14)27-12-20-24-25-27/h2-5,11-12,15H,6-10H2,1H3,(H,22,28)(H,23,29)
InChIKeyCTIFUILGLJCMEX-UHFFFAOYSA-N
XLogP1.10
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 51.10
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

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide
CID 56585958
N-(1-amino-2-methylpropan-2-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 119522429
N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56540520
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 118762726
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 46969503
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 28781201
4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46636660
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 56582571
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56515562
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55487784

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide (CID 56553767) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide is Cc1nc(CN2CCC(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide?
The InChIKey is CTIFUILGLJCMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2S/c1-13-21-16(11-30-13)10-26-8-6-15(7-9-26)19(29)23-22-18(28)14-2-4-17(5-3-14)27-12-20-24-25-27/h2-5,11-12,15H,6-10H2,1H3,(H,22,28)(H,23,29).
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide has a molecular weight of 426.51 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 56553767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).