N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C20H18N6OS — CID 24616995

IUPACN-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(Cn2nnc(-c3ccccc3C)n2)cs1
InChIInChI=1S/C20H18N6OS/c1-14-8-6-7-11-18(14)19-22-24-25(23-19)12-16-13-28-20(21-16)26(15(2)27)17-9-4-3-5-10-17/h3-11,13H,12H2,1-2H3
InChIKeyBYAHOGCZHNONNH-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.84
Rot. Bonds5

About N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 24616995) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID24616995
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC NameN-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(Cn2nnc(-c3ccccc3C)n2)cs1
InChIInChI=1S/C20H18N6OS/c1-14-8-6-7-11-18(14)19-22-24-25(23-19)12-16-13-28-20(21-16)26(15(2)27)17-9-4-3-5-10-17/h3-11,13H,12H2,1-2H3
InChIKeyBYAHOGCZHNONNH-UHFFFAOYSA-N
XLogP3.84
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38846667
N-[4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 38954090
N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8596103
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888
N-[4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 112796818
4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24629381
3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide
CID 146125202
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 47524086
N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 166226115
N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16610630
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 39939448

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 24616995) is N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(Cn2nnc(-c3ccccc3C)n2)cs1.
What is the InChIKey of N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is BYAHOGCZHNONNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-14-8-6-7-11-18(14)19-22-24-25(23-19)12-16-13-28-20(21-16)26(15(2)27)17-9-4-3-5-10-17/h3-11,13H,12H2,1-2H3.
What are the key properties of N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 390.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 24616995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).