1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C21H18N2O3S — CID 58609876

IUPAC1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1
InChIInChI=1S/C21H18N2O3S/c1-13-18(14-5-3-2-4-6-14)22-20(27-13)23-19(24)21(9-10-21)15-7-8-16-17(11-15)26-12-25-16/h2-8,11H,9-10,12H2,1H3,(H,22,23,24)
InChIKeyPKPRKZDRNVWLPF-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.52
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 58609876) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID58609876
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1
InChIInChI=1S/C21H18N2O3S/c1-13-18(14-5-3-2-4-6-14)22-20(27-13)23-19(24)21(9-10-21)15-7-8-16-17(11-15)26-12-25-16/h2-8,11H,9-10,12H2,1H3,(H,22,23,24)
InChIKeyPKPRKZDRNVWLPF-UHFFFAOYSA-N
XLogP4.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[5-(2,5-dimethoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 162643306
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide
CID 166374307
2-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 41107811
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)cyclopropane-1-carboxylic acid;ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate;ethyl 2-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-propyl-1,3-thiazole-5-carboxylate;methane
CID 162017781
1-(1,3-benzodioxol-5-yl)-N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 59765220
1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 59165825
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206062
1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide
CID 59206321
1-(1,3-benzodioxol-5-yl)-N-[5-(4-methylbenzoyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 162665077
potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 59765193

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 58609876) is 1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is Cc1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is PKPRKZDRNVWLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-13-18(14-5-3-2-4-6-14)22-20(27-13)23-19(24)21(9-10-21)15-7-8-16-17(11-15)26-12-25-16/h2-8,11H,9-10,12H2,1H3,(H,22,23,24).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 58609876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).