1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea

C14H20N2O2S — CID 45497268

IUPAC1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea
SMILESO=C(NCC1(c2cccs2)CCOCC1)NC1CC1
InChIInChI=1S/C14H20N2O2S/c17-13(16-11-3-4-11)15-10-14(5-7-18-8-6-14)12-2-1-9-19-12/h1-2,9,11H,3-8,10H2,(H2,15,16,17)
InChIKeyICIDDAIKEYPIAZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.26
Rot. Bonds4

About 1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea

1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea (PubChem CID 45497268) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea
PubChem CID45497268
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea
SMILESO=C(NCC1(c2cccs2)CCOCC1)NC1CC1
InChIInChI=1S/C14H20N2O2S/c17-13(16-11-3-4-11)15-10-14(5-7-18-8-6-14)12-2-1-9-19-12/h1-2,9,11H,3-8,10H2,(H2,15,16,17)
InChIKeyICIDDAIKEYPIAZ-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea (CID 45497268) is 1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea is O=C(NCC1(c2cccs2)CCOCC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea?
The InChIKey is ICIDDAIKEYPIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-13(16-11-3-4-11)15-10-14(5-7-18-8-6-14)12-2-1-9-19-12/h1-2,9,11H,3-8,10H2,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea?
1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea has a molecular weight of 280.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-thiophen-2-yloxan-4-yl)methyl]urea is sourced from PubChem (CID 45497268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).