1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one

C10H16N4OS — CID 61282388

IUPAC1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one
SMILESCc1ncc(CNCCN2CCNC2=O)s1
InChIInChI=1S/C10H16N4OS/c1-8-13-7-9(16-8)6-11-2-4-14-5-3-12-10(14)15/h7,11H,2-6H2,1H3,(H,12,15)
InChIKeySKKVXXDIDKTWNR-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.57
Rot. Bonds5

About 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one

1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 61282388) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one
PubChem CID61282388
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one
SMILESCc1ncc(CNCCN2CCNC2=O)s1
InChIInChI=1S/C10H16N4OS/c1-8-13-7-9(16-8)6-11-2-4-14-5-3-12-10(14)15/h7,11H,2-6H2,1H3,(H,12,15)
InChIKeySKKVXXDIDKTWNR-UHFFFAOYSA-N
XLogP0.57
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one (CID 61282388) is 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one is Cc1ncc(CNCCN2CCNC2=O)s1.
What is the InChIKey of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is SKKVXXDIDKTWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-8-13-7-9(16-8)6-11-2-4-14-5-3-12-10(14)15/h7,11H,2-6H2,1H3,(H,12,15).
What are the key properties of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 240.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 61282388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).