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

C17H18N4O2S — CID 47009951

IUPAC2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCCN1CCc2nc(NC(=O)Cc3noc4ccccc34)sc2C1
InChIInChI=1S/C17H18N4O2S/c1-2-21-8-7-12-15(10-21)24-17(18-12)19-16(22)9-13-11-5-3-4-6-14(11)23-20-13/h3-6H,2,7-10H2,1H3,(H,18,19,22)
InChIKeyKODGBKLBGCKITF-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.84
Rot. Bonds4

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

2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 47009951) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID47009951
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCCN1CCc2nc(NC(=O)Cc3noc4ccccc34)sc2C1
InChIInChI=1S/C17H18N4O2S/c1-2-21-8-7-12-15(10-21)24-17(18-12)19-16(22)9-13-11-5-3-4-6-14(11)23-20-13/h3-6H,2,7-10H2,1H3,(H,18,19,22)
InChIKeyKODGBKLBGCKITF-UHFFFAOYSA-N
XLogP2.84
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 29412794
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412541
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
(3S)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylbutanamide
CID 29412489
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 29413491
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methylsulfonylphenyl)acetamide;hydrochloride
CID 44827099
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide
CID 46525596
2-(3,4-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 2467084
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 29413242
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78772935

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 47009951) is 2-(1,2-benzoxazol-3-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-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is CCN1CCc2nc(NC(=O)Cc3noc4ccccc34)sc2C1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is KODGBKLBGCKITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-21-8-7-12-15(10-21)24-17(18-12)19-16(22)9-13-11-5-3-4-6-14(11)23-20-13/h3-6H,2,7-10H2,1H3,(H,18,19,22).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 47009951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).