2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide

C20H19N7OS — CID 86935956

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC(C)c3nc(-c4ccncc4)cs3)n2)cc1
InChIInChI=1S/C20H19N7OS/c1-13-3-5-16(6-4-13)19-24-26-27(25-19)11-18(28)22-14(2)20-23-17(12-29-20)15-7-9-21-10-8-15/h3-10,12,14H,11H2,1-2H3,(H,22,28)
InChIKeyYSYPXCGNLKRLBB-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.04
Rot. Bonds6

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 86935956) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID86935956
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC(C)c3nc(-c4ccncc4)cs3)n2)cc1
InChIInChI=1S/C20H19N7OS/c1-13-3-5-16(6-4-13)19-24-26-27(25-19)11-18(28)22-14(2)20-23-17(12-29-20)15-7-9-21-10-8-15/h3-10,12,14H,11H2,1-2H3,(H,22,28)
InChIKeyYSYPXCGNLKRLBB-UHFFFAOYSA-N
XLogP3.04
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(3-methylbutylsulfanyl)-N-[(1R)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 95337620
2-(3-methylbutylsulfanyl)-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 95337619
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46607871
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103
N-[(2S)-1-methoxypropan-2-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465632
N-ethyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 71944277
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465586
N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465585
4-(4-bromophenyl)-4-oxo-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]butanamide
CID 86933082
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465644
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 95314518

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide (CID 86935956) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1ccc(-c2nnn(CC(=O)NC(C)c3nc(-c4ccncc4)cs3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is YSYPXCGNLKRLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS/c1-13-3-5-16(6-4-13)19-24-26-27(25-19)11-18(28)22-14(2)20-23-17(12-29-20)15-7-9-21-10-8-15/h3-10,12,14H,11H2,1-2H3,(H,22,28).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide?
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 405.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 86935956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).