3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide

C19H24ClN3O3S — CID 29412667

IUPAC3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2nc3c(s2)CN(CC)CC3)cc1OC
InChIInChI=1S/C19H24ClN3O3S/c1-4-8-26-17-13(20)9-12(10-15(17)25-3)18(24)22-19-21-14-6-7-23(5-2)11-16(14)27-19/h9-10H,4-8,11H2,1-3H3,(H,21,22,24)
InChIKeySMDFFUSIEYFPJQ-UHFFFAOYSA-N
MW409.94 g/mol
LogP4.22
Rot. Bonds7

About 3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide

3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide (PubChem CID 29412667) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide
PubChem CID29412667
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2nc3c(s2)CN(CC)CC3)cc1OC
InChIInChI=1S/C19H24ClN3O3S/c1-4-8-26-17-13(20)9-12(10-15(17)25-3)18(24)22-19-21-14-6-7-23(5-2)11-16(14)27-19/h9-10H,4-8,11H2,1-3H3,(H,21,22,24)
InChIKeySMDFFUSIEYFPJQ-UHFFFAOYSA-N
XLogP4.22
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 42152830
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propoxybenzamide
CID 2536195
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide
CID 2382313
4-amino-5-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide;dihydrochloride
CID 119828566
3,4-dimethoxy-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44976267
4-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrrole-2-carboxamide
CID 29413278
3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide
CID 26723389
3,4,5-trimethoxy-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108749741
2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide
CID 78772886
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 24592005
2-(2,5-dimethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 78804088
2-(3,4-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 2467084

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide (CID 29412667) is 3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2nc3c(s2)CN(CC)CC3)cc1OC.
What is the InChIKey of 3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide?
The InChIKey is SMDFFUSIEYFPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-4-8-26-17-13(20)9-12(10-15(17)25-3)18(24)22-19-21-14-6-7-23(5-2)11-16(14)27-19/h9-10H,4-8,11H2,1-3H3,(H,21,22,24).
What are the key properties of 3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide?
3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide has a molecular weight of 409.94 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 29412667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).