3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C16H17N3O2S — CID 146084461

IUPAC3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CN(C)C(=O)NCc2cc3ccccc3o2)s1
InChIInChI=1S/C16H17N3O2S/c1-11-17-9-14(22-11)10-19(2)16(20)18-8-13-7-12-5-3-4-6-15(12)21-13/h3-7,9H,8,10H2,1-2H3,(H,18,20)
InChIKeyQPSXFVUCBQPHIW-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.54
Rot. Bonds4

About 3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 146084461) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID146084461
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CN(C)C(=O)NCc2cc3ccccc3o2)s1
InChIInChI=1S/C16H17N3O2S/c1-11-17-9-14(22-11)10-19(2)16(20)18-8-13-7-12-5-3-4-6-15(12)21-13/h3-7,9H,8,10H2,1-2H3,(H,18,20)
InChIKeyQPSXFVUCBQPHIW-UHFFFAOYSA-N
XLogP3.54
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea
CID 71982720
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836271
1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 146103401
1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea
CID 71982725
3-[[1-benzofuran-2-ylmethyl(methyl)carbamoyl]amino]propanoic acid
CID 122018707
1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115604557
1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 71865739
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75462199
N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
CID 140966924
N-(1-benzofuran-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 110745356
3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea
CID 110896623
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 65309172

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 146084461) is 3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CN(C)C(=O)NCc2cc3ccccc3o2)s1.
What is the InChIKey of 3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is QPSXFVUCBQPHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-17-9-14(22-11)10-19(2)16(20)18-8-13-7-12-5-3-4-6-15(12)21-13/h3-7,9H,8,10H2,1-2H3,(H,18,20).
What are the key properties of 3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 315.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 146084461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).