(5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione

C15H20N6O2S — CID 129325684

IUPAC(5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)N[C@H](Cc3cn(C(C)C)nn3)C2=O)sc1C
InChIInChI=1S/C15H20N6O2S/c1-8(2)21-6-11(18-19-21)5-12-14(22)20(15(23)17-12)7-13-16-9(3)10(4)24-13/h6,8,12H,5,7H2,1-4H3,(H,17,23)/t12-/m1/s1
InChIKeyBOTIFPOJYOUDMJ-GFCCVEGCSA-N
MW348.43 g/mol
LogP1.60
Rot. Bonds5

About (5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione

(5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 129325684) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID129325684
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name(5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)N[C@H](Cc3cn(C(C)C)nn3)C2=O)sc1C
InChIInChI=1S/C15H20N6O2S/c1-8(2)21-6-11(18-19-21)5-12-14(22)20(15(23)17-12)7-13-16-9(3)10(4)24-13/h6,8,12H,5,7H2,1-4H3,(H,17,23)/t12-/m1/s1
InChIKeyBOTIFPOJYOUDMJ-GFCCVEGCSA-N
XLogP1.60
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.60
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 (5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione (CID 129325684) is (5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione is Cc1nc(CN2C(=O)N[C@H](Cc3cn(C(C)C)nn3)C2=O)sc1C.
What is the InChIKey of (5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is BOTIFPOJYOUDMJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-8(2)21-6-11(18-19-21)5-12-14(22)20(15(23)17-12)7-13-16-9(3)10(4)24-13/h6,8,12H,5,7H2,1-4H3,(H,17,23)/t12-/m1/s1.
What are the key properties of (5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
(5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 348.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 129325684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).