1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

C14H17N3O3S2 — CID 51080320

IUPAC1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2C)n1
InChIInChI=1S/C14H17N3O3S2/c1-9-4-5-11(22(3,19)20)6-12(9)17-14(18)15-7-13-16-10(2)8-21-13/h4-6,8H,7H2,1-3H3,(H2,15,17,18)
InChIKeyQZWYLQQFKGTQNT-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.49
Rot. Bonds4

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

1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 51080320) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID51080320
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2C)n1
InChIInChI=1S/C14H17N3O3S2/c1-9-4-5-11(22(3,19)20)6-12(9)17-14(18)15-7-13-16-10(2)8-21-13/h4-6,8H,7H2,1-3H3,(H2,15,17,18)
InChIKeyQZWYLQQFKGTQNT-UHFFFAOYSA-N
XLogP2.49
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(2-methyl-5-methylsulfonylphenyl)urea
CID 118773929
1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 47033074
1-(3-aminophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 54962764
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
3,4-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 104769750
1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 55696462
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide
CID 47048130
2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381121
4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 51315975
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709417
2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378977

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (CID 51080320) is 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1csc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2C)n1.
What is the InChIKey of 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is QZWYLQQFKGTQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-9-4-5-11(22(3,19)20)6-12(9)17-14(18)15-7-13-16-10(2)8-21-13/h4-6,8H,7H2,1-3H3,(H2,15,17,18).
What are the key properties of 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 339.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 51080320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).