N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide

C20H19N7OS2 — CID 78849339

IUPACN-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCc2csc(Nc3ccccc3C)n2)c1
InChIInChI=1S/C20H19N7OS2/c1-13-6-3-4-9-18(13)23-19-22-16(11-29-19)12-30-20-24-25-26-27(20)17-8-5-7-15(10-17)21-14(2)28/h3-11H,12H2,1-2H3,(H,21,28)(H,22,23)
InChIKeyWVPHHIAHNCTLDQ-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.42
Rot. Bonds7

About N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide

N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide (PubChem CID 78849339) has the molecular formula C20H19N7OS2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
PubChem CID78849339
Molecular FormulaC20H19N7OS2
Molecular Weight437.55 g/mol
Exact Mass437.11
IUPAC NameN-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCc2csc(Nc3ccccc3C)n2)c1
InChIInChI=1S/C20H19N7OS2/c1-13-6-3-4-9-18(13)23-19-22-16(11-29-19)12-30-20-24-25-26-27(20)17-8-5-7-15(10-17)21-14(2)28/h3-11H,12H2,1-2H3,(H,21,28)(H,22,23)
InChIKeyWVPHHIAHNCTLDQ-UHFFFAOYSA-N
XLogP4.42
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572672
N-[3-[5-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 30821832
N-[3-[5-(2-phenoxyethylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 46572679
N-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 39074837
N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 38842731
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55571388
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
CID 2345699
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372
N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572642
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-heptan-2-ylacetamide
CID 55572394
2-[4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 16509682
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 46572572

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide (CID 78849339) is N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nnnc2SCc2csc(Nc3ccccc3C)n2)c1.
What is the InChIKey of N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The InChIKey is WVPHHIAHNCTLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS2/c1-13-6-3-4-9-18(13)23-19-22-16(11-29-19)12-30-20-24-25-26-27(20)17-8-5-7-15(10-17)21-14(2)28/h3-11H,12H2,1-2H3,(H,21,28)(H,22,23).
What are the key properties of N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide has a molecular weight of 437.55 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 78849339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).