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

C17H21N3O3S2 — CID 29412679

IUPACN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide
SMILESCCN1CCc2nc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)sc2C1
InChIInChI=1S/C17H21N3O3S2/c1-4-20-8-7-14-15(10-20)24-17(18-14)19-16(21)13-9-12(25(3,22)23)6-5-11(13)2/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19,21)
InChIKeyYUXCDAOLINHBIP-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.49
Rot. Bonds4

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

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide (PubChem CID 29412679) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide
PubChem CID29412679
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide
SMILESCCN1CCc2nc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)sc2C1
InChIInChI=1S/C17H21N3O3S2/c1-4-20-8-7-14-15(10-20)24-17(18-14)19-16(21)13-9-12(25(3,22)23)6-5-11(13)2/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19,21)
InChIKeyYUXCDAOLINHBIP-UHFFFAOYSA-N
XLogP2.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-ethylsulfonylbenzamide
CID 26841185
2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827061
4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 29412552
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 119946095
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 29412625
5-(diethylsulfamoyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 46560722
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 78772858
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide
CID 55461641
5-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)naphthalene-1-carboxamide
CID 167840338
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16547107
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

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide (CID 29412679) is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide is CCN1CCc2nc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)sc2C1.
What is the InChIKey of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is YUXCDAOLINHBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-4-20-8-7-14-15(10-20)24-17(18-14)19-16(21)13-9-12(25(3,22)23)6-5-11(13)2/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19,21).
What are the key properties of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide?
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 379.51 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 29412679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).