1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea

C15H18N4O2S — CID 71865029

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCN(C)c1nc(CNC(=O)NC2COc3ccccc32)cs1
InChIInChI=1S/C15H18N4O2S/c1-19(2)15-17-10(9-22-15)7-16-14(20)18-12-8-21-13-6-4-3-5-11(12)13/h3-6,9,12H,7-8H2,1-2H3,(H2,16,18,20)
InChIKeyRMHIAXHJECQTFK-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.14
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea

1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea (PubChem CID 71865029) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
PubChem CID71865029
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCN(C)c1nc(CNC(=O)NC2COc3ccccc32)cs1
InChIInChI=1S/C15H18N4O2S/c1-19(2)15-17-10(9-22-15)7-16-14(20)18-12-8-21-13-6-4-3-5-11(12)13/h3-6,9,12H,7-8H2,1-2H3,(H2,16,18,20)
InChIKeyRMHIAXHJECQTFK-UHFFFAOYSA-N
XLogP2.14
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea (CID 71865029) is 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea is CN(C)c1nc(CNC(=O)NC2COc3ccccc32)cs1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea?
The InChIKey is RMHIAXHJECQTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-19(2)15-17-10(9-22-15)7-16-14(20)18-12-8-21-13-6-4-3-5-11(12)13/h3-6,9,12H,7-8H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea?
1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea has a molecular weight of 318.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea is sourced from PubChem (CID 71865029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).