2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

C19H18ClN3OS2 — CID 31245977

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCN1CCc2nc(NC(=O)CSc3cccc4cccc(Cl)c34)sc2C1
InChIInChI=1S/C19H18ClN3OS2/c1-23-9-8-14-16(10-23)26-19(21-14)22-17(24)11-25-15-7-3-5-12-4-2-6-13(20)18(12)15/h2-7H,8-11H2,1H3,(H,21,22,24)
InChIKeyFPWQWCCIAPQOFU-UHFFFAOYSA-N
MW403.96 g/mol
LogP4.67
Rot. Bonds4

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 31245977) has the molecular formula C19H18ClN3OS2 and a molecular weight of 403.96 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID31245977
Molecular FormulaC19H18ClN3OS2
Molecular Weight403.96 g/mol
Exact Mass403.06
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCN1CCc2nc(NC(=O)CSc3cccc4cccc(Cl)c34)sc2C1
InChIInChI=1S/C19H18ClN3OS2/c1-23-9-8-14-16(10-23)26-19(21-14)22-17(24)11-25-15-7-3-5-12-4-2-6-13(20)18(12)15/h2-7H,8-11H2,1H3,(H,21,22,24)
InChIKeyFPWQWCCIAPQOFU-UHFFFAOYSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.96
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3953709
2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 39177210
2-(2-chlorophenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide
CID 51295002
1-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108901473
2-(2,4-dichlorophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 30544845
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
1-(3-chlorophenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide
CID 56811384
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-methylphenoxy)acetamide
CID 51172739
4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide
CID 84561267
2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 27421659
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110480434

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 31245977) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is CN1CCc2nc(NC(=O)CSc3cccc4cccc(Cl)c34)sc2C1.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is FPWQWCCIAPQOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS2/c1-23-9-8-14-16(10-23)26-19(21-14)22-17(24)11-25-15-7-3-5-12-4-2-6-13(20)18(12)15/h2-7H,8-11H2,1H3,(H,21,22,24).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 403.96 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 31245977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).