2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride

C10H16ClN3O2S — CID 141096380

IUPAC2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCNC(=O)c1cnc(CCC(=O)N(C)C)s1.Cl
InChIInChI=1S/C10H15N3O2S.ClH/c1-11-10(15)7-6-12-8(16-7)4-5-9(14)13(2)3;/h6H,4-5H2,1-3H3,(H,11,15);1H
InChIKeyWLJXOHCZADDMNL-UHFFFAOYSA-N
MW277.78 g/mol
LogP0.95
Rot. Bonds4

About 2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride

2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 141096380) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID141096380
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCNC(=O)c1cnc(CCC(=O)N(C)C)s1.Cl
InChIInChI=1S/C10H15N3O2S.ClH/c1-11-10(15)7-6-12-8(16-7)4-5-9(14)13(2)3;/h6H,4-5H2,1-3H3,(H,11,15);1H
InChIKeyWLJXOHCZADDMNL-UHFFFAOYSA-N
XLogP0.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride (CID 141096380) is 2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride is CNC(=O)c1cnc(CCC(=O)N(C)C)s1.Cl.
What is the InChIKey of 2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is WLJXOHCZADDMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S.ClH/c1-11-10(15)7-6-12-8(16-7)4-5-9(14)13(2)3;/h6H,4-5H2,1-3H3,(H,11,15);1H.
What are the key properties of 2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 277.78 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 141096380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).