N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine

C20H20N2O3S — CID 87929472

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NCc3ccc4c(c3)CCO4)n2)c(OC)c1
InChIInChI=1S/C20H20N2O3S/c1-23-15-4-5-16(19(10-15)24-2)17-12-26-20(22-17)21-11-13-3-6-18-14(9-13)7-8-25-18/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22)
InChIKeyMPYVTAGBGBHQMD-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.37
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 87929472) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID87929472
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NCc3ccc4c(c3)CCO4)n2)c(OC)c1
InChIInChI=1S/C20H20N2O3S/c1-23-15-4-5-16(19(10-15)24-2)17-12-26-20(22-17)21-11-13-3-6-18-14(9-13)7-8-25-18/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22)
InChIKeyMPYVTAGBGBHQMD-UHFFFAOYSA-N
XLogP4.37
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5219831
5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 87929466
4-(2,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 7954962
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline
CID 43804057
4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55446124
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586800
2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol
CID 117071560
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
CID 92551611
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46680144
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 110787119

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 87929472) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(NCc3ccc4c(c3)CCO4)n2)c(OC)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is MPYVTAGBGBHQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-23-15-4-5-16(19(10-15)24-2)17-12-26-20(22-17)21-11-13-3-6-18-14(9-13)7-8-25-18/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 368.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87929472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).