3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide

C16H18N4O2S — CID 167803382

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCc1nc(CCC(=O)Nc2ccc(N3CCNC3=O)cc2)cs1
InChIInChI=1S/C16H18N4O2S/c1-11-18-13(10-23-11)4-7-15(21)19-12-2-5-14(6-3-12)20-9-8-17-16(20)22/h2-3,5-6,10H,4,7-9H2,1H3,(H,17,22)(H,19,21)
InChIKeyFHENKXBFNYKNFE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.55
Rot. Bonds5

About 3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide

3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide (PubChem CID 167803382) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
PubChem CID167803382
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCc1nc(CCC(=O)Nc2ccc(N3CCNC3=O)cc2)cs1
InChIInChI=1S/C16H18N4O2S/c1-11-18-13(10-23-11)4-7-15(21)19-12-2-5-14(6-3-12)20-9-8-17-16(20)22/h2-3,5-6,10H,4,7-9H2,1H3,(H,17,22)(H,19,21)
InChIKeyFHENKXBFNYKNFE-UHFFFAOYSA-N
XLogP2.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide (CID 167803382) is 3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide is Cc1nc(CCC(=O)Nc2ccc(N3CCNC3=O)cc2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The InChIKey is FHENKXBFNYKNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11-18-13(10-23-11)4-7-15(21)19-12-2-5-14(6-3-12)20-9-8-17-16(20)22/h2-3,5-6,10H,4,7-9H2,1H3,(H,17,22)(H,19,21).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide has a molecular weight of 330.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 167803382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).