3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C19H18N4O3S — CID 87000563

IUPAC3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C)C(=O)COc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C19H18N4O3S/c1-23(2)17(24)11-26-14-7-5-6-13(10-14)18(25)22-19-21-16(12-27-19)15-8-3-4-9-20-15/h3-10,12H,11H2,1-2H3,(H,21,22,25)
InChIKeyTWJBYEHWPXORMU-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.92
Rot. Bonds6

About 3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 87000563) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID87000563
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C)C(=O)COc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C19H18N4O3S/c1-23(2)17(24)11-26-14-7-5-6-13(10-14)18(25)22-19-21-16(12-27-19)15-8-3-4-9-20-15/h3-10,12H,11H2,1-2H3,(H,21,22,25)
InChIKeyTWJBYEHWPXORMU-UHFFFAOYSA-N
XLogP2.92
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596534
3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158043
3-(dipropylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 41163778
3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48667487
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 176676308
3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 3524855
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
N-(2-benzylphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55771324
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
4-methoxy-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 8924132

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 87000563) is 3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CN(C)C(=O)COc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of 3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is TWJBYEHWPXORMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-23(2)17(24)11-26-14-7-5-6-13(10-14)18(25)22-19-21-16(12-27-19)15-8-3-4-9-20-15/h3-10,12H,11H2,1-2H3,(H,21,22,25).
What are the key properties of 3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 382.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 87000563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).