4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

C20H22N4OS — CID 43070031

IUPAC4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C20H22N4OS/c1-3-24(4-2)13-15-7-9-16(10-8-15)19(25)23-20-22-18(14-26-20)17-6-5-11-21-12-17/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,25)
InChIKeyZLDWYMHSAPDMTN-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.30
Rot. Bonds7

About 4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 43070031) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
PubChem CID43070031
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C20H22N4OS/c1-3-24(4-2)13-15-7-9-16(10-8-15)19(25)23-20-22-18(14-26-20)17-6-5-11-21-12-17/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,25)
InChIKeyZLDWYMHSAPDMTN-UHFFFAOYSA-N
XLogP4.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4142843
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 17450848
4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 44993047
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43070034
4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 10319726
4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
ethane;4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 144702954
4-[(dipropylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 87968495

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (CID 43070031) is 4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is CCN(CC)Cc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZLDWYMHSAPDMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-3-24(4-2)13-15-7-9-16(10-8-15)19(25)23-20-22-18(14-26-20)17-6-5-11-21-12-17/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,25).
What are the key properties of 4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 366.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 43070031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).