N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride

C17H23Cl2N3OS — CID 120553090

IUPACN-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
SMILESCc1csc(-c2cccc(C(=O)NC3CCNCC3C)c2)n1.Cl.Cl
InChIInChI=1S/C17H21N3OS.2ClH/c1-11-9-18-7-6-15(11)20-16(21)13-4-3-5-14(8-13)17-19-12(2)10-22-17;;/h3-5,8,10-11,15,18H,6-7,9H2,1-2H3,(H,20,21);2*1H
InChIKeyMAXYYNIAMJMRLV-UHFFFAOYSA-N
MW388.36 g/mol
LogP3.69
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride

N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride (PubChem CID 120553090) has the molecular formula C17H23Cl2N3OS and a molecular weight of 388.36 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
PubChem CID120553090
Molecular FormulaC17H23Cl2N3OS
Molecular Weight388.36 g/mol
Exact Mass387.09
IUPAC NameN-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
SMILESCc1csc(-c2cccc(C(=O)NC3CCNCC3C)c2)n1.Cl.Cl
InChIInChI=1S/C17H21N3OS.2ClH/c1-11-9-18-7-6-15(11)20-16(21)13-4-3-5-14(8-13)17-19-12(2)10-22-17;;/h3-5,8,10-11,15,18H,6-7,9H2,1-2H3,(H,20,21);2*1H
InChIKeyMAXYYNIAMJMRLV-UHFFFAOYSA-N
XLogP3.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119535155
N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120557885
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 120947563
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120554755
ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 110355797
N-[(3R,4R)-4-hydroxypiperidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide;dihydrochloride
CID 154903592
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120557505
N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide
CID 120554475
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride (CID 120553090) is N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride is Cc1csc(-c2cccc(C(=O)NC3CCNCC3C)c2)n1.Cl.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride?
The InChIKey is MAXYYNIAMJMRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.2ClH/c1-11-9-18-7-6-15(11)20-16(21)13-4-3-5-14(8-13)17-19-12(2)10-22-17;;/h3-5,8,10-11,15,18H,6-7,9H2,1-2H3,(H,20,21);2*1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride?
N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride has a molecular weight of 388.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride is sourced from PubChem (CID 120553090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).