[5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C18H20N2O4S — CID 155516988

IUPAC[5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)c1nc(C(=O)N2CCOCC2)c(-c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C18H20N2O4S/c1-11(2)17-19-15(18(21)20-5-7-22-8-6-20)16(25-17)12-3-4-13-14(9-12)24-10-23-13/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyUPFIHIFGWZWNTM-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.13
Rot. Bonds3

About [5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 155516988) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID155516988
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name[5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)c1nc(C(=O)N2CCOCC2)c(-c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C18H20N2O4S/c1-11(2)17-19-15(18(21)20-5-7-22-8-6-20)16(25-17)12-3-4-13-14(9-12)24-10-23-13/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyUPFIHIFGWZWNTM-UHFFFAOYSA-N
XLogP3.13
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

BuChE-IN-1
CID 156772174
4-[(2,4-Dimethyl(1,3-thiazol-5-yl))carbonyl]-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-3-pyrrolin-2-one
CID 661230
[(2S)-2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 127038062
N-(2-methylpropyl)-N-[[2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 156771332
2-(2,3-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 661086
5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 661159
1,3-benzodioxol-5-yl[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]methanone
CID 7693701
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 42837362
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46009274
Ethyl 5-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 59446803
[(2S)-2-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-1-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 127038812
[(2S)-2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 127038819

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 155516988) is [5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is CC(C)c1nc(C(=O)N2CCOCC2)c(-c2ccc3c(c2)OCO3)s1.
What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is UPFIHIFGWZWNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-11(2)17-19-15(18(21)20-5-7-22-8-6-20)16(25-17)12-3-4-13-14(9-12)24-10-23-13/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of [5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 360.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155516988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).