5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide

C15H18ClN3O2S — CID 146104578

IUPAC5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide
SMILESCOc1c(NCc2csnc2C)cc(Cl)cc1C(=O)N(C)C
InChIInChI=1S/C15H18ClN3O2S/c1-9-10(8-22-18-9)7-17-13-6-11(16)5-12(14(13)21-4)15(20)19(2)3/h5-6,8,17H,7H2,1-4H3
InChIKeyIAZAKJYZZSWLDA-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.43
Rot. Bonds5

About 5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide

5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide (PubChem CID 146104578) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide
PubChem CID146104578
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide
SMILESCOc1c(NCc2csnc2C)cc(Cl)cc1C(=O)N(C)C
InChIInChI=1S/C15H18ClN3O2S/c1-9-10(8-22-18-9)7-17-13-6-11(16)5-12(14(13)21-4)15(20)19(2)3/h5-6,8,17H,7H2,1-4H3
InChIKeyIAZAKJYZZSWLDA-UHFFFAOYSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide (CID 146104578) is 5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide is COc1c(NCc2csnc2C)cc(Cl)cc1C(=O)N(C)C.
What is the InChIKey of 5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide?
The InChIKey is IAZAKJYZZSWLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-9-10(8-22-18-9)7-17-13-6-11(16)5-12(14(13)21-4)15(20)19(2)3/h5-6,8,17H,7H2,1-4H3.
What are the key properties of 5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide?
5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide has a molecular weight of 339.85 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 146104578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).