N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide

C19H17N3O3S — CID 42764774

IUPACN-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCCNc1nc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cs1
InChIInChI=1S/C19H17N3O3S/c1-2-20-19-22-15(10-26-19)12-4-3-5-14(8-12)21-18(23)13-6-7-16-17(9-13)25-11-24-16/h3-10H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyWDXFBOAZAYXJCT-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.22
Rot. Bonds5

About N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42764774) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID42764774
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCCNc1nc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cs1
InChIInChI=1S/C19H17N3O3S/c1-2-20-19-22-15(10-26-19)12-4-3-5-14(8-12)21-18(23)13-6-7-16-17(9-13)25-11-24-16/h3-10H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyWDXFBOAZAYXJCT-UHFFFAOYSA-N
XLogP4.22
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7151281
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide
CID 5154094
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110492864
N-[3-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 647324
N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 72720049
N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
CID 42764148
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55334288
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxyacetamide
CID 810478
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110643698
4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3526553
N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 141145423
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4577932

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide (CID 42764774) is N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide is CCNc1nc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cs1.
What is the InChIKey of N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is WDXFBOAZAYXJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-2-20-19-22-15(10-26-19)12-4-3-5-14(8-12)21-18(23)13-6-7-16-17(9-13)25-11-24-16/h3-10H,2,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42764774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).