2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C20H27ClN4O2S — CID 120621704

IUPAC2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2csc(CCN)n2)C1.Cl
InChIInChI=1S/C20H26N4O2S.ClH/c1-13-9-14(2)11-24(10-13)20(26)15-5-3-4-6-16(15)23-19(25)17-12-27-18(22-17)7-8-21;/h3-6,12-14H,7-11,21H2,1-2H3,(H,23,25);1H
InChIKeyCXQOMDXHFSEEGI-UHFFFAOYSA-N
MW422.98 g/mol
LogP3.44
Rot. Bonds5

About 2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120621704) has the molecular formula C20H27ClN4O2S and a molecular weight of 422.98 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120621704
Molecular FormulaC20H27ClN4O2S
Molecular Weight422.98 g/mol
Exact Mass422.15
IUPAC Name2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2csc(CCN)n2)C1.Cl
InChIInChI=1S/C20H26N4O2S.ClH/c1-13-9-14(2)11-24(10-13)20(26)15-5-3-4-6-16(15)23-19(25)17-12-27-18(22-17)7-8-21;/h3-6,12-14H,7-11,21H2,1-2H3,(H,23,25);1H
InChIKeyCXQOMDXHFSEEGI-UHFFFAOYSA-N
XLogP3.44
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
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N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-6-methylpyridine-2-carboxamide
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2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66390219
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2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
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2-(2-aminoethyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 120618775
2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637855
2-(2-aminoethyl)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120621704) is 2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2csc(CCN)n2)C1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is CXQOMDXHFSEEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S.ClH/c1-13-9-14(2)11-24(10-13)20(26)15-5-3-4-6-16(15)23-19(25)17-12-27-18(22-17)7-8-21;/h3-6,12-14H,7-11,21H2,1-2H3,(H,23,25);1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 422.98 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).