1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea

C18H24N4O2S — CID 11689052

IUPAC1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
SMILESCC(=O)c1cc(NC(=O)Nc2nc(CN(C)C(C)C)cs2)ccc1C
InChIInChI=1S/C18H24N4O2S/c1-11(2)22(5)9-15-10-25-18(20-15)21-17(24)19-14-7-6-12(3)16(8-14)13(4)23/h6-8,10-11H,9H2,1-5H3,(H2,19,20,21,24)
InChIKeyGOWGVISBUNMIQJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.14
Rot. Bonds6

About 1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea

1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea (PubChem CID 11689052) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
PubChem CID11689052
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
SMILESCC(=O)c1cc(NC(=O)Nc2nc(CN(C)C(C)C)cs2)ccc1C
InChIInChI=1S/C18H24N4O2S/c1-11(2)22(5)9-15-10-25-18(20-15)21-17(24)19-14-7-6-12(3)16(8-14)13(4)23/h6-8,10-11H,9H2,1-5H3,(H2,19,20,21,24)
InChIKeyGOWGVISBUNMIQJ-UHFFFAOYSA-N
XLogP4.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea (CID 11689052) is 1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea is CC(=O)c1cc(NC(=O)Nc2nc(CN(C)C(C)C)cs2)ccc1C.
What is the InChIKey of 1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea?
The InChIKey is GOWGVISBUNMIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-11(2)22(5)9-15-10-25-18(20-15)21-17(24)19-14-7-6-12(3)16(8-14)13(4)23/h6-8,10-11H,9H2,1-5H3,(H2,19,20,21,24).
What are the key properties of 1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea?
1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea has a molecular weight of 360.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 11689052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).