1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide

C14H18N2O2S2 — CID 110446173

IUPAC1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCC(C)c1csc(CNS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C14H18N2O2S2/c1-11(2)13-9-19-14(16-13)8-15-20(17,18)10-12-6-4-3-5-7-12/h3-7,9,11,15H,8,10H2,1-2H3
InChIKeyRFYCMOXJUCKTKU-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.89
Rot. Bonds6

About 1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide

1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide (PubChem CID 110446173) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
PubChem CID110446173
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCC(C)c1csc(CNS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C14H18N2O2S2/c1-11(2)13-9-19-14(16-13)8-15-20(17,18)10-12-6-4-3-5-7-12/h3-7,9,11,15H,8,10H2,1-2H3
InChIKeyRFYCMOXJUCKTKU-UHFFFAOYSA-N
XLogP2.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide (CID 110446173) is 1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide is CC(C)c1csc(CNS(=O)(=O)Cc2ccccc2)n1.
What is the InChIKey of 1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The InChIKey is RFYCMOXJUCKTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-11(2)13-9-19-14(16-13)8-15-20(17,18)10-12-6-4-3-5-7-12/h3-7,9,11,15H,8,10H2,1-2H3.
What are the key properties of 1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110446173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).