4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

C22H29N7OS — CID 56549537

IUPAC4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H29N7OS/c1-17-20(31-16-23-17)22(30)24-19-10-14-28(15-11-19)12-6-3-7-13-29-26-21(25-27-29)18-8-4-2-5-9-18/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,24,30)
InChIKeyLKAAYDLEOBMLQT-UHFFFAOYSA-N
MW439.59 g/mol
LogP3.17
Rot. Bonds9

About 4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 56549537) has the molecular formula C22H29N7OS and a molecular weight of 439.59 g/mol. Its IUPAC name is 4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID56549537
Molecular FormulaC22H29N7OS
Molecular Weight439.59 g/mol
Exact Mass439.22
IUPAC Name4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H29N7OS/c1-17-20(31-16-23-17)22(30)24-19-10-14-28(15-11-19)12-6-3-7-13-29-26-21(25-27-29)18-8-4-2-5-9-18/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,24,30)
InChIKeyLKAAYDLEOBMLQT-UHFFFAOYSA-N
XLogP3.17
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 56549537) is 4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is LKAAYDLEOBMLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7OS/c1-17-20(31-16-23-17)22(30)24-19-10-14-28(15-11-19)12-6-3-7-13-29-26-21(25-27-29)18-8-4-2-5-9-18/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,24,30).
What are the key properties of 4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 439.59 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56549537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).