1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea

C15H19N3O2S2 — CID 91649335

IUPAC1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
SMILESCC(CS(C)=O)N(C)C(=O)Nc1cc(-c2ccccc2)ns1
InChIInChI=1S/C15H19N3O2S2/c1-11(10-22(3)20)18(2)15(19)16-14-9-13(17-21-14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,16,19)
InChIKeyPOLFIXYEJZPCCI-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.04
Rot. Bonds5

About 1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea

1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea (PubChem CID 91649335) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
PubChem CID91649335
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
SMILESCC(CS(C)=O)N(C)C(=O)Nc1cc(-c2ccccc2)ns1
InChIInChI=1S/C15H19N3O2S2/c1-11(10-22(3)20)18(2)15(19)16-14-9-13(17-21-14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,16,19)
InChIKeyPOLFIXYEJZPCCI-UHFFFAOYSA-N
XLogP3.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-diethylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99697996
3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99697990
3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea
CID 70519026
N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
CID 71864926
1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 95786580
3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
CID 91649259
3-[3-(dimethylamino)-2-methylphenyl]-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99587862
3-[4-(dimethylamino)-2,6-dimethylphenyl]-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
CID 102561817
3-(4-ethyl-3-fluorophenyl)-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99581371
3-(3-chloro-4-methylsulfanylphenyl)-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99715554
1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea
CID 97341252
3-(3-fluoro-5-methoxyphenyl)-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99716494

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea?
The IUPAC name of 1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea (CID 91649335) is 1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea.
What is the SMILES notation for 1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea?
The canonical SMILES for 1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea is CC(CS(C)=O)N(C)C(=O)Nc1cc(-c2ccccc2)ns1.
What is the InChIKey of 1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea?
The InChIKey is POLFIXYEJZPCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-11(10-22(3)20)18(2)15(19)16-14-9-13(17-21-14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,16,19).
What are the key properties of 1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea?
1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea has a molecular weight of 337.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea is sourced from PubChem (CID 91649335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).