1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C15H25N3O2S — CID 71851000

IUPAC1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOCCC1(CNC(=O)NCc2cnc(C)s2)CCCC1
InChIInChI=1S/C15H25N3O2S/c1-12-16-9-13(21-12)10-17-14(19)18-11-15(7-8-20-2)5-3-4-6-15/h9H,3-8,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyNQZZXORDMXXWFZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.85
Rot. Bonds7

About 1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 71851000) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID71851000
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOCCC1(CNC(=O)NCc2cnc(C)s2)CCCC1
InChIInChI=1S/C15H25N3O2S/c1-12-16-9-13(21-12)10-17-14(19)18-11-15(7-8-20-2)5-3-4-6-15/h9H,3-8,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyNQZZXORDMXXWFZ-UHFFFAOYSA-N
XLogP2.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 71851000) is 1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is COCCC1(CNC(=O)NCc2cnc(C)s2)CCCC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is NQZZXORDMXXWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-16-9-13(21-12)10-17-14(19)18-11-15(7-8-20-2)5-3-4-6-15/h9H,3-8,10-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 311.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 71851000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).