N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide

C16H11Cl2N5O2S — CID 87424152

IUPACN-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCn1c(=O)ccc2c1ncn2CC(=O)Nc1nc2cc(Cl)c(Cl)cc2s1
InChIInChI=1S/C16H11Cl2N5O2S/c1-22-14(25)3-2-11-15(22)19-7-23(11)6-13(24)21-16-20-10-4-8(17)9(18)5-12(10)26-16/h2-5,7H,6H2,1H3,(H,20,21,24)
InChIKeyQHOODWFRUQOFLR-UHFFFAOYSA-N
MW408.27 g/mol
LogP3.29
Rot. Bonds3

About N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide

N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (PubChem CID 87424152) has the molecular formula C16H11Cl2N5O2S and a molecular weight of 408.27 g/mol. Its IUPAC name is N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
PubChem CID87424152
Molecular FormulaC16H11Cl2N5O2S
Molecular Weight408.27 g/mol
Exact Mass407.00
IUPAC NameN-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCn1c(=O)ccc2c1ncn2CC(=O)Nc1nc2cc(Cl)c(Cl)cc2s1
InChIInChI=1S/C16H11Cl2N5O2S/c1-22-14(25)3-2-11-15(22)19-7-23(11)6-13(24)21-16-20-10-4-8(17)9(18)5-12(10)26-16/h2-5,7H,6H2,1H3,(H,20,21,24)
InChIKeyQHOODWFRUQOFLR-UHFFFAOYSA-N
XLogP3.29
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17440622
N-[4-(3,4-dichlorophenyl)-5-fluoro-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 122635904
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 30935983
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 43989085
N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 67501345
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
CID 87424254
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide
CID 15403567
N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
CID 88569820
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43952281
N-(6-chloro-5-methoxy-1,3-benzothiazol-2-yl)-2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)acetamide
CID 87424083
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-formyl-3-phenylpyrazol-1-yl)acetamide
CID 10410476
N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090557

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The IUPAC name of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (CID 87424152) is N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is Cn1c(=O)ccc2c1ncn2CC(=O)Nc1nc2cc(Cl)c(Cl)cc2s1.
What is the InChIKey of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The InChIKey is QHOODWFRUQOFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O2S/c1-22-14(25)3-2-11-15(22)19-7-23(11)6-13(24)21-16-20-10-4-8(17)9(18)5-12(10)26-16/h2-5,7H,6H2,1H3,(H,20,21,24).
What are the key properties of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide has a molecular weight of 408.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 87424152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).