N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride

C23H28ClN3O2S — CID 24747046

IUPACN-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride
SMILESCOc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccc(C)cc3)n2)cc1.Cl
InChIInChI=1S/C23H27N3O2S.ClH/c1-17-6-8-19(9-7-17)22(27)26(15-5-14-25(2)3)23-24-21(16-29-23)18-10-12-20(28-4)13-11-18;/h6-13,16H,5,14-15H2,1-4H3;1H
InChIKeyWBPAYWCLNMOURS-UHFFFAOYSA-N
MW446.02 g/mol
LogP5.15
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride

N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride (PubChem CID 24747046) has the molecular formula C23H28ClN3O2S and a molecular weight of 446.02 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride
PubChem CID24747046
Molecular FormulaC23H28ClN3O2S
Molecular Weight446.02 g/mol
Exact Mass445.16
IUPAC NameN-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride
SMILESCOc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccc(C)cc3)n2)cc1.Cl
InChIInChI=1S/C23H27N3O2S.ClH/c1-17-6-8-19(9-7-17)22(27)26(15-5-14-25(2)3)23-24-21(16-29-23)18-10-12-20(28-4)13-11-18;/h6-13,16H,5,14-15H2,1-4H3;1H
InChIKeyWBPAYWCLNMOURS-UHFFFAOYSA-N
XLogP5.15
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.02
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride (CID 24747046) is N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride is COc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccc(C)cc3)n2)cc1.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride?
The InChIKey is WBPAYWCLNMOURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S.ClH/c1-17-6-8-19(9-7-17)22(27)26(15-5-14-25(2)3)23-24-21(16-29-23)18-10-12-20(28-4)13-11-18;/h6-13,16H,5,14-15H2,1-4H3;1H.
What are the key properties of N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride?
N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride has a molecular weight of 446.02 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 24747046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).