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

C20H18N2O4S — CID 110317408

IUPACN-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccccc1-c1nc(CCNC(=O)c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C20H18N2O4S/c1-24-16-5-3-2-4-15(16)20-22-14(11-27-20)8-9-21-19(23)13-6-7-17-18(10-13)26-12-25-17/h2-7,10-11H,8-9,12H2,1H3,(H,21,23)
InChIKeyLQTPXQZJVKGMIV-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.52
Rot. Bonds6

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

N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110317408) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110317408
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccccc1-c1nc(CCNC(=O)c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C20H18N2O4S/c1-24-16-5-3-2-4-15(16)20-22-14(11-27-20)8-9-21-19(23)13-6-7-17-18(10-13)26-12-25-17/h2-7,10-11H,8-9,12H2,1H3,(H,21,23)
InChIKeyLQTPXQZJVKGMIV-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110284922
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110285051
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110317395
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113095660
4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide
CID 49374963
N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743046
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110326136
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 17442017
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
CID 35541475

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 110317408) is N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide is COc1ccccc1-c1nc(CCNC(=O)c2ccc3c(c2)OCO3)cs1.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LQTPXQZJVKGMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-24-16-5-3-2-4-15(16)20-22-14(11-27-20)8-9-21-19(23)13-6-7-17-18(10-13)26-12-25-17/h2-7,10-11H,8-9,12H2,1H3,(H,21,23).
What are the key properties of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110317408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).