(5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

C14H17N5O3S — CID 95166165

IUPAC(5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCOC[C@]1(C)NC(=O)N(Cc2csc(-c3cnn(C)c3)n2)C1=O
InChIInChI=1S/C14H17N5O3S/c1-14(8-22-3)12(20)19(13(21)17-14)6-10-7-23-11(16-10)9-4-15-18(2)5-9/h4-5,7H,6,8H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyTUAPKGPSRCVPOP-AWEZNQCLSA-N
MW335.39 g/mol
LogP1.00
Rot. Bonds5

About (5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

(5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 95166165) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is (5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID95166165
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name(5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCOC[C@]1(C)NC(=O)N(Cc2csc(-c3cnn(C)c3)n2)C1=O
InChIInChI=1S/C14H17N5O3S/c1-14(8-22-3)12(20)19(13(21)17-14)6-10-7-23-11(16-10)9-4-15-18(2)5-9/h4-5,7H,6,8H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyTUAPKGPSRCVPOP-AWEZNQCLSA-N
XLogP1.00
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (CID 95166165) is (5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is COC[C@]1(C)NC(=O)N(Cc2csc(-c3cnn(C)c3)n2)C1=O.
What is the InChIKey of (5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is TUAPKGPSRCVPOP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-14(8-22-3)12(20)19(13(21)17-14)6-10-7-23-11(16-10)9-4-15-18(2)5-9/h4-5,7H,6,8H2,1-3H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
(5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 335.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95166165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).