[3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone

C18H19N5O3S — CID 141437777

IUPAC[3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc(N2C=CSC2c2ccc3c(c2)CCO3)n[nH]1)N1CCOCC1
InChIInChI=1S/C18H19N5O3S/c24-16(22-4-8-25-9-5-22)15-19-18(21-20-15)23-6-10-27-17(23)13-1-2-14-12(11-13)3-7-26-14/h1-2,6,10-11,17H,3-5,7-9H2,(H,19,20,21)
InChIKeyUKQTVCPAZFOOAC-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.94
Rot. Bonds3

About [3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone

[3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 141437777) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is [3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone
PubChem CID141437777
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name[3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc(N2C=CSC2c2ccc3c(c2)CCO3)n[nH]1)N1CCOCC1
InChIInChI=1S/C18H19N5O3S/c24-16(22-4-8-25-9-5-22)15-19-18(21-20-15)23-6-10-27-17(23)13-1-2-14-12(11-13)3-7-26-14/h1-2,6,10-11,17H,3-5,7-9H2,(H,19,20,21)
InChIKeyUKQTVCPAZFOOAC-UHFFFAOYSA-N
XLogP1.94
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole
CID 141437779
[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 71828704
2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbaldehyde;[3-(methylamino)-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone
CID 145234814
2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole
CID 141437771
methyl 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2,5-dihydro-1,3-thiazole-4-carbonyl]amino]-1H-1,2,4-triazole-5-carboxylate
CID 123634450
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
CID 129367473
5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide
CID 133108811
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297
4-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-1,5-dihydroimidazol-2-one
CID 79960453
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone (CID 141437777) is [3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone is O=C(c1nc(N2C=CSC2c2ccc3c(c2)CCO3)n[nH]1)N1CCOCC1.
What is the InChIKey of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is UKQTVCPAZFOOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c24-16(22-4-8-25-9-5-22)15-19-18(21-20-15)23-6-10-27-17(23)13-1-2-14-12(11-13)3-7-26-14/h1-2,6,10-11,17H,3-5,7-9H2,(H,19,20,21).
What are the key properties of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone?
[3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 385.45 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 141437777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).