1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea

C16H23N3O3S — CID 111482799

IUPAC1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1cc(C(C)(O)CNC(=O)NCc2sc(C)nc2C)c(C)o1
InChIInChI=1S/C16H23N3O3S/c1-9-6-13(11(3)22-9)16(5,21)8-18-15(20)17-7-14-10(2)19-12(4)23-14/h6,21H,7-8H2,1-5H3,(H2,17,18,20)
InChIKeyLQGPGSWXKNPWBC-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.68
Rot. Bonds5

About 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea

1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 111482799) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID111482799
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1cc(C(C)(O)CNC(=O)NCc2sc(C)nc2C)c(C)o1
InChIInChI=1S/C16H23N3O3S/c1-9-6-13(11(3)22-9)16(5,21)8-18-15(20)17-7-14-10(2)19-12(4)23-14/h6,21H,7-8H2,1-5H3,(H2,17,18,20)
InChIKeyLQGPGSWXKNPWBC-UHFFFAOYSA-N
XLogP2.68
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea (CID 111482799) is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea is Cc1cc(C(C)(O)CNC(=O)NCc2sc(C)nc2C)c(C)o1.
What is the InChIKey of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is LQGPGSWXKNPWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-9-6-13(11(3)22-9)16(5,21)8-18-15(20)17-7-14-10(2)19-12(4)23-14/h6,21H,7-8H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 337.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 111482799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).