2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one

C10H14N4OS — CID 136706814

IUPAC2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one
SMILESCC(C)C/N=C1\NC(=O)C(c2nccs2)N1
InChIInChI=1S/C10H14N4OS/c1-6(2)5-12-10-13-7(8(15)14-10)9-11-3-4-16-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13,14,15)
InChIKeyHZYQHFMZHSTSMB-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.92
Rot. Bonds3

About 2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one

2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one (PubChem CID 136706814) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one
PubChem CID136706814
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one
SMILESCC(C)C/N=C1\NC(=O)C(c2nccs2)N1
InChIInChI=1S/C10H14N4OS/c1-6(2)5-12-10-13-7(8(15)14-10)9-11-3-4-16-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13,14,15)
InChIKeyHZYQHFMZHSTSMB-UHFFFAOYSA-N
XLogP0.92
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-ethylimino-5-(1,3-thiazol-2-yl)imidazolidin-4-one
CID 136706810
8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione
CID 150389360
4,4-dimethyl-6-(1,3-thiazol-2-yl)cyclohex-2-en-1-one
CID 18320148
3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970385
(2S)-2,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]pent-4-en-1-one
CID 124728518
(5S)-5-(1,3-thiazol-2-yl)oxolan-2-one
CID 71354365
2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 7047975
1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584011
4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine
CID 136896936
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole
CID 67986575
[6-(1,3-thiazol-2-yl)oxan-2-yl]methanamine
CID 130583812
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one?
The IUPAC name of 2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one (CID 136706814) is 2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one is CC(C)C/N=C1\NC(=O)C(c2nccs2)N1.
What is the InChIKey of 2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one?
The InChIKey is HZYQHFMZHSTSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6(2)5-12-10-13-7(8(15)14-10)9-11-3-4-16-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one?
2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one has a molecular weight of 238.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one is sourced from PubChem (CID 136706814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).