1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

C11H18N4OS — CID 110747915

IUPAC1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)NC2CCCC2)cs1
InChIInChI=1S/C11H18N4OS/c1-12-11-15-9(7-17-11)6-13-10(16)14-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyLYIBKCPMOKZBPK-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.93
Rot. Bonds4

About 1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (PubChem CID 110747915) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
PubChem CID110747915
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)NC2CCCC2)cs1
InChIInChI=1S/C11H18N4OS/c1-12-11-15-9(7-17-11)6-13-10(16)14-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyLYIBKCPMOKZBPK-UHFFFAOYSA-N
XLogP1.93
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (CID 110747915) is 1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is CNc1nc(CNC(=O)NC2CCCC2)cs1.
What is the InChIKey of 1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The InChIKey is LYIBKCPMOKZBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-12-11-15-9(7-17-11)6-13-10(16)14-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,12,15)(H2,13,14,16).
What are the key properties of 1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea has a molecular weight of 254.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is sourced from PubChem (CID 110747915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).