N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride

C14H17Cl2N3O3S — CID 119619097

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)Nc2cc3c(cc2N)OCO3)s1.Cl.Cl
InChIInChI=1S/C14H15N3O3S.2ClH/c1-2-3-13-16-6-12(21-13)14(18)17-9-5-11-10(4-8(9)15)19-7-20-11;;/h4-6H,2-3,7,15H2,1H3,(H,17,18);2*1H
InChIKeyXSXRLYUMCJEANT-UHFFFAOYSA-N
MW378.28 g/mol
LogP3.50
Rot. Bonds4

About N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119619097) has the molecular formula C14H17Cl2N3O3S and a molecular weight of 378.28 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119619097
Molecular FormulaC14H17Cl2N3O3S
Molecular Weight378.28 g/mol
Exact Mass377.04
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)Nc2cc3c(cc2N)OCO3)s1.Cl.Cl
InChIInChI=1S/C14H15N3O3S.2ClH/c1-2-3-13-16-6-12(21-13)14(18)17-9-5-11-10(4-8(9)15)19-7-20-11;;/h4-6H,2-3,7,15H2,1H3,(H,17,18);2*1H
InChIKeyXSXRLYUMCJEANT-UHFFFAOYSA-N
XLogP3.50
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
CID 43548279
N-(6-amino-1,3-benzodioxol-5-yl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119619117
N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide
CID 104638032
N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122267
3-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-1-methylurea
CID 79160086
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 43548362
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride
CID 75415042
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-dipropylpentanediamide;hydrochloride
CID 119619071
4-fluoro-3-[(2-propyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 75516520
N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride
CID 119618394
N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119479154
N-(6-amino-1,3-benzodioxol-5-yl)-2-propylsulfanylacetamide
CID 119618391

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119619097) is N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride is CCCc1ncc(C(=O)Nc2cc3c(cc2N)OCO3)s1.Cl.Cl.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is XSXRLYUMCJEANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S.2ClH/c1-2-3-13-16-6-12(21-13)14(18)17-9-5-11-10(4-8(9)15)19-7-20-11;;/h4-6H,2-3,7,15H2,1H3,(H,17,18);2*1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 378.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119619097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).