5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione

C15H17N5O2S — CID 154765582

IUPAC5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCC(C)c1nnc(CN2C(=O)NC(C)(c3cccnc3)C2=O)s1
InChIInChI=1S/C15H17N5O2S/c1-9(2)12-19-18-11(23-12)8-20-13(21)15(3,17-14(20)22)10-5-4-6-16-7-10/h4-7,9H,8H2,1-3H3,(H,17,22)
InChIKeyJBTIFRLHYBDTMA-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.02
Rot. Bonds4

About 5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione

5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 154765582) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID154765582
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCC(C)c1nnc(CN2C(=O)NC(C)(c3cccnc3)C2=O)s1
InChIInChI=1S/C15H17N5O2S/c1-9(2)12-19-18-11(23-12)8-20-13(21)15(3,17-14(20)22)10-5-4-6-16-7-10/h4-7,9H,8H2,1-3H3,(H,17,22)
InChIKeyJBTIFRLHYBDTMA-UHFFFAOYSA-N
XLogP2.02
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[[(4S)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]methyl]benzonitrile
CID 124617988
5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 75442393
(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 96528280
5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
CID 82148872
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595902
4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile
CID 129398781
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 52531636
3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 71574591
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 47772433
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 9439740
(5R)-5-methyl-5-phenyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95275420
(5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 40790671

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 154765582) is 5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione is CC(C)c1nnc(CN2C(=O)NC(C)(c3cccnc3)C2=O)s1.
What is the InChIKey of 5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is JBTIFRLHYBDTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9(2)12-19-18-11(23-12)8-20-13(21)15(3,17-14(20)22)10-5-4-6-16-7-10/h4-7,9H,8H2,1-3H3,(H,17,22).
What are the key properties of 5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 331.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 154765582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).