4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine

C16H16N2O2S — CID 32951384

IUPAC4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
SMILESCc1c(-c2csc(N3CCOCC3)n2)oc2ccccc12
InChIInChI=1S/C16H16N2O2S/c1-11-12-4-2-3-5-14(12)20-15(11)13-10-21-16(17-13)18-6-8-19-9-7-18/h2-5,10H,6-9H2,1H3
InChIKeyBCONGDLVLZFKNS-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.70
Rot. Bonds2

About 4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine

4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine (PubChem CID 32951384) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
PubChem CID32951384
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
SMILESCc1c(-c2csc(N3CCOCC3)n2)oc2ccccc12
InChIInChI=1S/C16H16N2O2S/c1-11-12-4-2-3-5-14(12)20-15(11)13-10-21-16(17-13)18-6-8-19-9-7-18/h2-5,10H,6-9H2,1H3
InChIKeyBCONGDLVLZFKNS-UHFFFAOYSA-N
XLogP3.70
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-amine
CID 8878295
2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
CID 167513347
4-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 72720133
4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 41143854
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 167843609
4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
CID 174341504
2-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
CID 24629987
2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518477
2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 162360505
4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine
CID 166230979
4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154769
4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine
CID 154585877

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine (CID 32951384) is 4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine is Cc1c(-c2csc(N3CCOCC3)n2)oc2ccccc12.
What is the InChIKey of 4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is BCONGDLVLZFKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-12-4-2-3-5-14(12)20-15(11)13-10-21-16(17-13)18-6-8-19-9-7-18/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine?
4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 300.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 32951384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).