N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide

C11H13N3O2S2 — CID 2560328

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(-c2csc(N)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C11H13N3O2S2/c1-14(18(2,15)16)9-5-3-8(4-6-9)10-7-17-11(12)13-10/h3-7H,1-2H3,(H2,12,13)
InChIKeyYIXKIEAVBDBFMZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.79
Rot. Bonds3

About N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 2560328) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide
PubChem CID2560328
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(-c2csc(N)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C11H13N3O2S2/c1-14(18(2,15)16)9-5-3-8(4-6-9)10-7-17-11(12)13-10/h3-7H,1-2H3,(H2,12,13)
InChIKeyYIXKIEAVBDBFMZ-UHFFFAOYSA-N
XLogP1.79
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide (CID 2560328) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide is CN(c1ccc(-c2csc(N)n2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is YIXKIEAVBDBFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-14(18(2,15)16)9-5-3-8(4-6-9)10-7-17-11(12)13-10/h3-7H,1-2H3,(H2,12,13).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 2560328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).