1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea

C15H19N3OS2 — CID 72887007

IUPAC1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea
SMILESCSCc1nc(CCNC(=O)Nc2ccc(C)cc2)cs1
InChIInChI=1S/C15H19N3OS2/c1-11-3-5-12(6-4-11)18-15(19)16-8-7-13-9-21-14(17-13)10-20-2/h3-6,9H,7-8,10H2,1-2H3,(H2,16,18,19)
InChIKeyRILXTXPPANIDDE-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.68
Rot. Bonds6

About 1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea

1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea (PubChem CID 72887007) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea
PubChem CID72887007
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea
SMILESCSCc1nc(CCNC(=O)Nc2ccc(C)cc2)cs1
InChIInChI=1S/C15H19N3OS2/c1-11-3-5-12(6-4-11)18-15(19)16-8-7-13-9-21-14(17-13)10-20-2/h3-6,9H,7-8,10H2,1-2H3,(H2,16,18,19)
InChIKeyRILXTXPPANIDDE-UHFFFAOYSA-N
XLogP3.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea (CID 72887007) is 1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea is CSCc1nc(CCNC(=O)Nc2ccc(C)cc2)cs1.
What is the InChIKey of 1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea?
The InChIKey is RILXTXPPANIDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-11-3-5-12(6-4-11)18-15(19)16-8-7-13-9-21-14(17-13)10-20-2/h3-6,9H,7-8,10H2,1-2H3,(H2,16,18,19).
What are the key properties of 1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea?
1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea has a molecular weight of 321.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea is sourced from PubChem (CID 72887007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).