3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea

C17H25N3O2S — CID 75514120

IUPAC3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea
SMILESCc1nc(C(C)C)sc1C(C)N(C)C(=O)NCCc1ccco1
InChIInChI=1S/C17H25N3O2S/c1-11(2)16-19-12(3)15(23-16)13(4)20(5)17(21)18-9-8-14-7-6-10-22-14/h6-7,10-11,13H,8-9H2,1-5H3,(H,18,21)
InChIKeyQFTDOCVJXSNQPR-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.11
Rot. Bonds6

About 3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea

3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea (PubChem CID 75514120) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea
PubChem CID75514120
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea
SMILESCc1nc(C(C)C)sc1C(C)N(C)C(=O)NCCc1ccco1
InChIInChI=1S/C17H25N3O2S/c1-11(2)16-19-12(3)15(23-16)13(4)20(5)17(21)18-9-8-14-7-6-10-22-14/h6-7,10-11,13H,8-9H2,1-5H3,(H,18,21)
InChIKeyQFTDOCVJXSNQPR-UHFFFAOYSA-N
XLogP4.11
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea?
The IUPAC name of 3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea (CID 75514120) is 3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea.
What is the SMILES notation for 3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea?
The canonical SMILES for 3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea is Cc1nc(C(C)C)sc1C(C)N(C)C(=O)NCCc1ccco1.
What is the InChIKey of 3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea?
The InChIKey is QFTDOCVJXSNQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11(2)16-19-12(3)15(23-16)13(4)20(5)17(21)18-9-8-14-7-6-10-22-14/h6-7,10-11,13H,8-9H2,1-5H3,(H,18,21).
What are the key properties of 3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea?
3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea has a molecular weight of 335.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea is sourced from PubChem (CID 75514120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).