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

C15H19N3OS — CID 47451144

IUPAC4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CN(C)C(=O)c2ccc(N(C)C)cc2)cs1
InChIInChI=1S/C15H19N3OS/c1-11-16-13(10-20-11)9-18(4)15(19)12-5-7-14(8-6-12)17(2)3/h5-8,10H,9H2,1-4H3
InChIKeyMVIZBWPZSYSWAU-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.79
Rot. Bonds4

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

4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 47451144) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID47451144
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CN(C)C(=O)c2ccc(N(C)C)cc2)cs1
InChIInChI=1S/C15H19N3OS/c1-11-16-13(10-20-11)9-18(4)15(19)12-5-7-14(8-6-12)17(2)3/h5-8,10H,9H2,1-4H3
InChIKeyMVIZBWPZSYSWAU-UHFFFAOYSA-N
XLogP2.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718140
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 111520388
3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitrobenzamide
CID 82778780
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 90648411
4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 86852432
5,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47442951
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 86852399
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614966
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 77005170
2-fluoro-6-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 104917136

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 47451144) is 4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is Cc1nc(CN(C)C(=O)c2ccc(N(C)C)cc2)cs1.
What is the InChIKey of 4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is MVIZBWPZSYSWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-16-13(10-20-11)9-18(4)15(19)12-5-7-14(8-6-12)17(2)3/h5-8,10H,9H2,1-4H3.
What are the key properties of 4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 47451144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).