N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide

C20H18N6OS — CID 38846610

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(-c2csc(NC(=O)Cn3nnc(-c4ccccc4)n3)n2)cc1C
InChIInChI=1S/C20H18N6OS/c1-13-8-9-16(10-14(13)2)17-12-28-20(21-17)22-18(27)11-26-24-19(23-25-26)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,21,22,27)
InChIKeyQUZIIYZMBUEQCU-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.72
Rot. Bonds5

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 38846610) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID38846610
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(-c2csc(NC(=O)Cn3nnc(-c4ccccc4)n3)n2)cc1C
InChIInChI=1S/C20H18N6OS/c1-13-8-9-16(10-14(13)2)17-12-28-20(21-17)22-18(27)11-26-24-19(23-25-26)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,21,22,27)
InChIKeyQUZIIYZMBUEQCU-UHFFFAOYSA-N
XLogP3.72
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55495057
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22197615
2-(4-benzylpiperazin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22198175
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1169409
3-(benzenesulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7202561
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 22195094
N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 1412311
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide
CID 19727876
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 38846870
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 38846610) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide is Cc1ccc(-c2csc(NC(=O)Cn3nnc(-c4ccccc4)n3)n2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is QUZIIYZMBUEQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-13-8-9-16(10-14(13)2)17-12-28-20(21-17)22-18(27)11-26-24-19(23-25-26)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,21,22,27).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 390.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 38846610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).