N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide

C20H15Cl2N5O3S — CID 108729156

IUPACN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1nc2scc(-c3ccc(NC(C)=O)cc3)n2n1
InChIInChI=1S/C20H15Cl2N5O3S/c1-10(28)23-12-5-3-11(4-6-12)15-9-31-20-25-19(26-27(15)20)24-18(29)16-13(21)7-8-14(22)17(16)30-2/h3-9H,1-2H3,(H,23,28)(H,24,26,29)
InChIKeyCIWVZIFHNQEYJN-UHFFFAOYSA-N
MW476.35 g/mol
LogP4.98
Rot. Bonds5

About N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide

N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide (PubChem CID 108729156) has the molecular formula C20H15Cl2N5O3S and a molecular weight of 476.35 g/mol. Its IUPAC name is N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide
PubChem CID108729156
Molecular FormulaC20H15Cl2N5O3S
Molecular Weight476.35 g/mol
Exact Mass475.03
IUPAC NameN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1nc2scc(-c3ccc(NC(C)=O)cc3)n2n1
InChIInChI=1S/C20H15Cl2N5O3S/c1-10(28)23-12-5-3-11(4-6-12)15-9-31-20-25-19(26-27(15)20)24-18(29)16-13(21)7-8-14(22)17(16)30-2/h3-9H,1-2H3,(H,23,28)(H,24,26,29)
InChIKeyCIWVZIFHNQEYJN-UHFFFAOYSA-N
XLogP4.98
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide
CID 108752967
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752948
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxyacetamide
CID 108729264
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-propan-2-ylbenzamide
CID 108729205
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728483
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-bromofuran-2-carboxamide
CID 108752976
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
CID 108729163
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 108753035
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-chlorophenyl)propanamide
CID 108729177
2,5-dichloro-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108727944
(2E,4E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]hexa-2,4-dienamide
CID 108729170
N'-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-N-(4-fluorophenyl)butanediamide
CID 108752985

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide?
The IUPAC name of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide (CID 108729156) is N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide.
What is the SMILES notation for N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide?
The canonical SMILES for N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide is COc1c(Cl)ccc(Cl)c1C(=O)Nc1nc2scc(-c3ccc(NC(C)=O)cc3)n2n1.
What is the InChIKey of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide?
The InChIKey is CIWVZIFHNQEYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O3S/c1-10(28)23-12-5-3-11(4-6-12)15-9-31-20-25-19(26-27(15)20)24-18(29)16-13(21)7-8-14(22)17(16)30-2/h3-9H,1-2H3,(H,23,28)(H,24,26,29).
What are the key properties of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide?
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide has a molecular weight of 476.35 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide is sourced from PubChem (CID 108729156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).