3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea

C13H17N3OS — CID 6923867

IUPAC3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea
SMILESCNC(=O)N(C1=NC[C@H](C)S1)c1ccc(C)cc1
InChIInChI=1S/C13H17N3OS/c1-9-4-6-11(7-5-9)16(12(17)14-3)13-15-8-10(2)18-13/h4-7,10H,8H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeyRWTMLTYHHOLQGM-JTQLQIEISA-N
MW263.37 g/mol
LogP2.63
Rot. Bonds1

About 3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea

3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea (PubChem CID 6923867) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea.

Molecular Properties

Compound Name3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea
PubChem CID6923867
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea
SMILESCNC(=O)N(C1=NC[C@H](C)S1)c1ccc(C)cc1
InChIInChI=1S/C13H17N3OS/c1-9-4-6-11(7-5-9)16(12(17)14-3)13-15-8-10(2)18-13/h4-7,10H,8H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeyRWTMLTYHHOLQGM-JTQLQIEISA-N
XLogP2.63
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea?
The IUPAC name of 3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea (CID 6923867) is 3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea.
What is the SMILES notation for 3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea?
The canonical SMILES for 3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea is CNC(=O)N(C1=NC[C@H](C)S1)c1ccc(C)cc1.
What is the InChIKey of 3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea?
The InChIKey is RWTMLTYHHOLQGM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-4-6-11(7-5-9)16(12(17)14-3)13-15-8-10(2)18-13/h4-7,10H,8H2,1-3H3,(H,14,17)/t10-/m0/s1.
What are the key properties of 3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea?
3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea has a molecular weight of 263.37 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea is sourced from PubChem (CID 6923867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).