2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

C12H20Cl2N4O2S — CID 120553729

IUPAC2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(=O)Nc1nc(C(=O)NC2CCNCC2C)cs1.Cl.Cl
InChIInChI=1S/C12H18N4O2S.2ClH/c1-7-5-13-4-3-9(7)15-11(18)10-6-19-12(16-10)14-8(2)17;;/h6-7,9,13H,3-5H2,1-2H3,(H,15,18)(H,14,16,17);2*1H
InChIKeyRCMIFVCXCAODER-UHFFFAOYSA-N
MW355.29 g/mol
LogP1.67
Rot. Bonds3

About 2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120553729) has the molecular formula C12H20Cl2N4O2S and a molecular weight of 355.29 g/mol. Its IUPAC name is 2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120553729
Molecular FormulaC12H20Cl2N4O2S
Molecular Weight355.29 g/mol
Exact Mass354.07
IUPAC Name2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(=O)Nc1nc(C(=O)NC2CCNCC2C)cs1.Cl.Cl
InChIInChI=1S/C12H18N4O2S.2ClH/c1-7-5-13-4-3-9(7)15-11(18)10-6-19-12(16-10)14-8(2)17;;/h6-7,9,13H,3-5H2,1-2H3,(H,15,18)(H,14,16,17);2*1H
InChIKeyRCMIFVCXCAODER-UHFFFAOYSA-N
XLogP1.67
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 94164490
2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120554755
2-(5-bromothiophen-2-yl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120555124
5-methyl-N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide;dihydrochloride
CID 120557503
N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 120556268
N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120557885
2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 103798441
N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 120556285
4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 120555713
5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 120554197
4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 120557568
4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120557762

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120553729) is 2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is CC(=O)Nc1nc(C(=O)NC2CCNCC2C)cs1.Cl.Cl.
What is the InChIKey of 2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is RCMIFVCXCAODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S.2ClH/c1-7-5-13-4-3-9(7)15-11(18)10-6-19-12(16-10)14-8(2)17;;/h6-7,9,13H,3-5H2,1-2H3,(H,15,18)(H,14,16,17);2*1H.
What are the key properties of 2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 355.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120553729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).