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

C18H23N3O2S2 — CID 44976429

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCCCN1CCc2nc(NC(=O)CSc3ccc(OC)cc3)sc2C1
InChIInChI=1S/C18H23N3O2S2/c1-3-9-21-10-8-15-16(11-21)25-18(19-15)20-17(22)12-24-14-6-4-13(23-2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,19,20,22)
InChIKeyCTKLHZXBXNHPRP-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.65
Rot. Bonds7

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

2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 44976429) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID44976429
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCCCN1CCc2nc(NC(=O)CSc3ccc(OC)cc3)sc2C1
InChIInChI=1S/C18H23N3O2S2/c1-3-9-21-10-8-15-16(11-21)25-18(19-15)20-17(22)12-24-14-6-4-13(23-2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,19,20,22)
InChIKeyCTKLHZXBXNHPRP-UHFFFAOYSA-N
XLogP3.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 44976370
2-(4-methoxyphenyl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 41320506
4-ethoxy-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44976323
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 78772933
3,4-dimethoxy-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44976267
2-(2,5-dimethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 78804088
N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
CID 44976263
3-butoxy-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44976291
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
CID 90532486
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7254526
3-methyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44976235
methyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 7546205

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 44976429) is 2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is CCCN1CCc2nc(NC(=O)CSc3ccc(OC)cc3)sc2C1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is CTKLHZXBXNHPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-3-9-21-10-8-15-16(11-21)25-18(19-15)20-17(22)12-24-14-6-4-13(23-2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,19,20,22).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 377.54 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 44976429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).