N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide

C12H15N3O2S2 — CID 140565096

IUPACN-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide
SMILESCN(C)Cc1cccc(NS(=O)(=O)c2cncs2)c1
InChIInChI=1S/C12H15N3O2S2/c1-15(2)8-10-4-3-5-11(6-10)14-19(16,17)12-7-13-9-18-12/h3-7,9,14H,8H2,1-2H3
InChIKeyLCIABHAXYDCNBP-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.01
Rot. Bonds5

About N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide

N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide (PubChem CID 140565096) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide
PubChem CID140565096
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide
SMILESCN(C)Cc1cccc(NS(=O)(=O)c2cncs2)c1
InChIInChI=1S/C12H15N3O2S2/c1-15(2)8-10-4-3-5-11(6-10)14-19(16,17)12-7-13-9-18-12/h3-7,9,14H,8H2,1-2H3
InChIKeyLCIABHAXYDCNBP-UHFFFAOYSA-N
XLogP2.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide (CID 140565096) is N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide is CN(C)Cc1cccc(NS(=O)(=O)c2cncs2)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is LCIABHAXYDCNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-15(2)8-10-4-3-5-11(6-10)14-19(16,17)12-7-13-9-18-12/h3-7,9,14H,8H2,1-2H3.
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide?
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 297.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 140565096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).