1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one

C14H24N4O3S2 — CID 70619872

IUPAC1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCCCCCCSc1nnc(N2C(=O)N(C)C(COC)C2O)s1
InChIInChI=1S/C14H24N4O3S2/c1-4-5-6-7-8-22-13-16-15-12(23-13)18-11(19)10(9-21-3)17(2)14(18)20/h10-11,19H,4-9H2,1-3H3
InChIKeySVBHFKKDQJVIKR-UHFFFAOYSA-N
MW360.51 g/mol
LogP2.42
Rot. Bonds9

About 1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one

1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (PubChem CID 70619872) has the molecular formula C14H24N4O3S2 and a molecular weight of 360.51 g/mol. Its IUPAC name is 1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
PubChem CID70619872
Molecular FormulaC14H24N4O3S2
Molecular Weight360.51 g/mol
Exact Mass360.13
IUPAC Name1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCCCCCCSc1nnc(N2C(=O)N(C)C(COC)C2O)s1
InChIInChI=1S/C14H24N4O3S2/c1-4-5-6-7-8-22-13-16-15-12(23-13)18-11(19)10(9-21-3)17(2)14(18)20/h10-11,19H,4-9H2,1-3H3
InChIKeySVBHFKKDQJVIKR-UHFFFAOYSA-N
XLogP2.42
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
CID 70619610
1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
CID 70619499
1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
CID 70619674
1-hexyl-4-hydroxy-3-(5-pentylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-2-one
CID 21400119
[1-methyl-2-oxo-3-(5-pentylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] N-(4-hexylphenyl)carbamate
CID 21404034
(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethanol
CID 4689343
N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide
CID 2747629
1-methyl-4-morpholin-4-yl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)imidazolidin-2-one
CID 70638431
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
CID 47111449
methyl 2-[(5-hexadecylsulfanyl-2-oxo-1,3-dithiol-4-yl)sulfanyl]acetate
CID 15317066
(3R)-1-butyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399849
4-chloro-1-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 168687429

Frequently Asked Questions

What is the IUPAC name of 1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (CID 70619872) is 1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one is CCCCCCSc1nnc(N2C(=O)N(C)C(COC)C2O)s1.
What is the InChIKey of 1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The InChIKey is SVBHFKKDQJVIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S2/c1-4-5-6-7-8-22-13-16-15-12(23-13)18-11(19)10(9-21-3)17(2)14(18)20/h10-11,19H,4-9H2,1-3H3.
What are the key properties of 1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one has a molecular weight of 360.51 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 70619872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).