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

C18H21N3O3S — CID 2496855

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCCN1CCc2nc(NC(=O)Cc3ccc4c(c3)OCCO4)sc2C1
InChIInChI=1S/C18H21N3O3S/c1-2-21-6-5-13-16(11-21)25-18(19-13)20-17(22)10-12-3-4-14-15(9-12)24-8-7-23-14/h3-4,9H,2,5-8,10-11H2,1H3,(H,19,20,22)
InChIKeyPPTNEQYSXJJJMO-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.47
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 2496855) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID2496855
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCCN1CCc2nc(NC(=O)Cc3ccc4c(c3)OCCO4)sc2C1
InChIInChI=1S/C18H21N3O3S/c1-2-21-6-5-13-16(11-21)25-18(19-13)20-17(22)10-12-3-4-14-15(9-12)24-8-7-23-14/h3-4,9H,2,5-8,10-11H2,1H3,(H,19,20,22)
InChIKeyPPTNEQYSXJJJMO-UHFFFAOYSA-N
XLogP2.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 24818334
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 737692
1-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144346
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2089709
N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(2-naphthalenyloxy)acetamide
CID 2124858
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2594257
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 3465128
3-methoxy-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide
CID 3944789
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 4245044
2-(3,4-dimethoxyphenyl)-N-[5-[4-(4-piperidin-1-ylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 156022269
3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 56597320

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 2496855) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is CCN1CCc2nc(NC(=O)Cc3ccc4c(c3)OCCO4)sc2C1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is PPTNEQYSXJJJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-2-21-6-5-13-16(11-21)25-18(19-13)20-17(22)10-12-3-4-14-15(9-12)24-8-7-23-14/h3-4,9H,2,5-8,10-11H2,1H3,(H,19,20,22).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 2496855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).