N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

C15H16N2O3S2 — CID 9246518

IUPACN-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESCS(=O)(=O)c1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-22(19,20)12-7-5-10(6-8-12)13-9-21-15(16-13)17-14(18)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,16,17,18)
InChIKeyCYUHOAZHFXXYGE-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.95
Rot. Bonds4

About N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (PubChem CID 9246518) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
PubChem CID9246518
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESCS(=O)(=O)c1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-22(19,20)12-7-5-10(6-8-12)13-9-21-15(16-13)17-14(18)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,16,17,18)
InChIKeyCYUHOAZHFXXYGE-UHFFFAOYSA-N
XLogP2.95
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 9246504
4-tert-butyl-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 9246533
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 70680664
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
ethane;molecular hydrogen;N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 144915932
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119694456
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828561
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (CID 9246518) is N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is CS(=O)(=O)c1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1.
What is the InChIKey of N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is CYUHOAZHFXXYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-22(19,20)12-7-5-10(6-8-12)13-9-21-15(16-13)17-14(18)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,16,17,18).
What are the key properties of N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 9246518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).