1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one

C13H18N4OS — CID 80583453

IUPAC1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one
SMILESCCCNc1ncc(Cn2ccn(C3CC3)c2=O)s1
InChIInChI=1S/C13H18N4OS/c1-2-5-14-12-15-8-11(19-12)9-16-6-7-17(13(16)18)10-3-4-10/h6-8,10H,2-5,9H2,1H3,(H,14,15)
InChIKeyXRVGTBFCZUMFMW-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.31
Rot. Bonds6

About 1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one

1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one (PubChem CID 80583453) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one
PubChem CID80583453
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one
SMILESCCCNc1ncc(Cn2ccn(C3CC3)c2=O)s1
InChIInChI=1S/C13H18N4OS/c1-2-5-14-12-15-8-11(19-12)9-16-6-7-17(13(16)18)10-3-4-10/h6-8,10H,2-5,9H2,1H3,(H,14,15)
InChIKeyXRVGTBFCZUMFMW-UHFFFAOYSA-N
XLogP2.31
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one (CID 80583453) is 1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one is CCCNc1ncc(Cn2ccn(C3CC3)c2=O)s1.
What is the InChIKey of 1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one?
The InChIKey is XRVGTBFCZUMFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-5-14-12-15-8-11(19-12)9-16-6-7-17(13(16)18)10-3-4-10/h6-8,10H,2-5,9H2,1H3,(H,14,15).
What are the key properties of 1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one?
1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one is sourced from PubChem (CID 80583453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).