4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole

C9H11N3O2S2 — CID 154784113

IUPAC4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1Cn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C9H11N3O2S2/c1-7-9(15-6-10-7)5-12-4-8(3-11-12)16(2,13)14/h3-4,6H,5H2,1-2H3
InChIKeyXESSCJXDUJQTHC-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.10
Rot. Bonds3

About 4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole

4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 154784113) has the molecular formula C9H11N3O2S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole
PubChem CID154784113
Molecular FormulaC9H11N3O2S2
Molecular Weight257.34 g/mol
Exact Mass257.03
IUPAC Name4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1Cn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C9H11N3O2S2/c1-7-9(15-6-10-7)5-12-4-8(3-11-12)16(2,13)14/h3-4,6H,5H2,1-2H3
InChIKeyXESSCJXDUJQTHC-UHFFFAOYSA-N
XLogP1.10
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfonyl-1-[(4-methylsulfonylphenyl)methyl]pyrazole
CID 154786420
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
CID 165473094
3-[(4-methylsulfonylpyrazol-1-yl)methyl]aniline
CID 165480925
[2-chloro-3-[(4-methylsulfonylpyrazol-1-yl)methyl]phenyl]methanamine
CID 165479602
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid
CID 62071343
[3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine
CID 165477574
4-fluoro-2-[(4-methylsulfonylpyrazol-1-yl)methyl]aniline
CID 165472918
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine
CID 165471755
6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 165480007
3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 139013406

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole (CID 154784113) is 4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole is Cc1ncsc1Cn1cc(S(C)(=O)=O)cn1.
What is the InChIKey of 4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is XESSCJXDUJQTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S2/c1-7-9(15-6-10-7)5-12-4-8(3-11-12)16(2,13)14/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole?
4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 257.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 154784113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).