N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide

C17H23N3O3S2 — CID 110357262

IUPACN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide
SMILESCCN(CC)Cc1csc(CNC(=O)c2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C17H23N3O3S2/c1-4-20(5-2)11-14-12-24-16(19-14)10-18-17(21)13-7-6-8-15(9-13)25(3,22)23/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyYURGVZGOGOSOGD-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.32
Rot. Bonds8

About N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide

N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide (PubChem CID 110357262) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide
PubChem CID110357262
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC NameN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide
SMILESCCN(CC)Cc1csc(CNC(=O)c2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C17H23N3O3S2/c1-4-20(5-2)11-14-12-24-16(19-14)10-18-17(21)13-7-6-8-15(9-13)25(3,22)23/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyYURGVZGOGOSOGD-UHFFFAOYSA-N
XLogP2.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359502
2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359527
2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359542
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide
CID 134027697
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110359516
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-methylsulfonylbenzamide
CID 26454671
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110613081
3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110426483
3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 56585528
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-(4-methylphenyl)propanamide
CID 110357243
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110313136

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide (CID 110357262) is N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide is CCN(CC)Cc1csc(CNC(=O)c2cccc(S(C)(=O)=O)c2)n1.
What is the InChIKey of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide?
The InChIKey is YURGVZGOGOSOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-4-20(5-2)11-14-12-24-16(19-14)10-18-17(21)13-7-6-8-15(9-13)25(3,22)23/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide?
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 110357262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).