3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one

C14H17N5OS — CID 666464

IUPAC3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one
SMILESCN1C(=O)N(c2ccccc2)C(Nc2nncs2)C1(C)C
InChIInChI=1S/C14H17N5OS/c1-14(2)11(16-12-17-15-9-21-12)19(13(20)18(14)3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,16,17)
InChIKeyYOYACJRHNNFLOG-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.63
Rot. Bonds3

About 3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one

3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one (PubChem CID 666464) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one.

Molecular Properties

Compound Name3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one
PubChem CID666464
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one
SMILESCN1C(=O)N(c2ccccc2)C(Nc2nncs2)C1(C)C
InChIInChI=1S/C14H17N5OS/c1-14(2)11(16-12-17-15-9-21-12)19(13(20)18(14)3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,16,17)
InChIKeyYOYACJRHNNFLOG-UHFFFAOYSA-N
XLogP2.63
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one?
The IUPAC name of 3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one (CID 666464) is 3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one.
What is the SMILES notation for 3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one?
The canonical SMILES for 3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one is CN1C(=O)N(c2ccccc2)C(Nc2nncs2)C1(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one?
The InChIKey is YOYACJRHNNFLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-14(2)11(16-12-17-15-9-21-12)19(13(20)18(14)3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,16,17).
What are the key properties of 3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one?
3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one has a molecular weight of 303.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-phenyl-5-(1,3,4-thiadiazol-2-ylamino)imidazolidin-2-one is sourced from PubChem (CID 666464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).