potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

C17H18KN3O3S — CID 59765193

IUPACpotassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCN(C)[CH-]c1cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)s1.[K+]
InChIInChI=1S/C17H18N3O3S.K/c1-20(2)9-12-8-18-16(24-12)19-15(21)17(5-6-17)11-3-4-13-14(7-11)23-10-22-13;/h3-4,7-9H,5-6,10H2,1-2H3,(H,18,19,21);/q-1;+1
InChIKeySNDGYXNAWHMATM-UHFFFAOYSA-N
MW383.51 g/mol
LogP-0.38
Rot. Bonds5

About potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 59765193) has the molecular formula C17H18KN3O3S and a molecular weight of 383.51 g/mol. Its IUPAC name is potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namepotassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID59765193
Molecular FormulaC17H18KN3O3S
Molecular Weight383.51 g/mol
Exact Mass383.07
IUPAC Namepotassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCN(C)[CH-]c1cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)s1.[K+]
InChIInChI=1S/C17H18N3O3S.K/c1-20(2)9-12-8-18-16(24-12)19-15(21)17(5-6-17)11-3-4-13-14(7-11)23-10-22-13;/h3-4,7-9H,5-6,10H2,1-2H3,(H,18,19,21);/q-1;+1
InChIKeySNDGYXNAWHMATM-UHFFFAOYSA-N
XLogP-0.38
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[5-(4-methylbenzoyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 162665077
1-(1,3-benzodioxol-5-yl)-N-[5-[dimethylamino(phenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 58609952
1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 58609757
1-(1,3-benzodioxol-5-yl)-N-[5-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 58609794
1-(1,3-benzodioxol-5-yl)-N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 59765220
N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 70937866
N-[5-[(R)-amino-(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 58048589
2-[[2-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]benzoic acid
CID 11583012
1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-(1,3-benzodioxol-5-yl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 140500368
1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 58609876
1-(1,3-benzodioxol-5-yl)-N-[5-[1-(2-methylphenyl)ethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;ethene;N-methylethanamine
CID 143412380
1-(1,3-benzodioxol-5-yl)-N-[5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 58609789

Frequently Asked Questions

What is the IUPAC name of potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (CID 59765193) is potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is CN(C)[CH-]c1cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)s1.[K+].
What is the InChIKey of potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is SNDGYXNAWHMATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N3O3S.K/c1-20(2)9-12-8-18-16(24-12)19-15(21)17(5-6-17)11-3-4-13-14(7-11)23-10-22-13;/h3-4,7-9H,5-6,10H2,1-2H3,(H,18,19,21);/q-1;+1.
What are the key properties of potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 383.51 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59765193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).