N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide

C20H18N2O4S — CID 110333343

IUPACN-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(-c2nc(CCC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1
InChIInChI=1S/C20H18N2O4S/c1-24-16-6-2-13(3-7-16)20-22-15(11-27-20)5-9-19(23)21-14-4-8-17-18(10-14)26-12-25-17/h2-4,6-8,10-11H,5,9,12H2,1H3,(H,21,23)
InChIKeyZMKURNYEWWISHV-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.12
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide

N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide (PubChem CID 110333343) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
PubChem CID110333343
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(-c2nc(CCC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1
InChIInChI=1S/C20H18N2O4S/c1-24-16-6-2-13(3-7-16)20-22-15(11-27-20)5-9-19(23)21-14-4-8-17-18(10-14)26-12-25-17/h2-4,6-8,10-11H,5,9,12H2,1H3,(H,21,23)
InChIKeyZMKURNYEWWISHV-UHFFFAOYSA-N
XLogP4.12
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332912
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8776935
N-(1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7944782
N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333335
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-(4-methoxyphenyl)propanamide
CID 110370645
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3239217
N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333309
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide
CID 16763785
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370618
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992428

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide (CID 110333343) is N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide is COc1ccc(-c2nc(CCC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
The InChIKey is ZMKURNYEWWISHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-24-16-6-2-13(3-7-16)20-22-15(11-27-20)5-9-19(23)21-14-4-8-17-18(10-14)26-12-25-17/h2-4,6-8,10-11H,5,9,12H2,1H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide has a molecular weight of 382.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 110333343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).