2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide

C11H13N3O2S2 — CID 63280801

IUPAC2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
SMILESCc1ncsc1CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H13N3O2S2/c1-8-10(17-7-14-8)6-13-9-4-2-3-5-11(9)18(12,15)16/h2-5,7,13H,6H2,1H3,(H2,12,15,16)
InChIKeyIIODRAUVULDMHT-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.71
Rot. Bonds4

About 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide

2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide (PubChem CID 63280801) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
PubChem CID63280801
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
SMILESCc1ncsc1CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H13N3O2S2/c1-8-10(17-7-14-8)6-13-9-4-2-3-5-11(9)18(12,15)16/h2-5,7,13H,6H2,1H3,(H2,12,15,16)
InChIKeyIIODRAUVULDMHT-UHFFFAOYSA-N
XLogP1.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 75356106
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 55170334
4-methyl-N-(2-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
CID 61130905
2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272
2-amino-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 104716748
2-(1H-1,2,4-triazol-5-ylmethylamino)benzenesulfonamide
CID 54884650
2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine
CID 63280783
1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
CID 99824551
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597308
(4-methyl-1,3-thiazol-5-yl)methanesulfonamide
CID 112639898
2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 114956651
3-bromo-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 82800798

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide (CID 63280801) is 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide is Cc1ncsc1CNc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The InChIKey is IIODRAUVULDMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-8-10(17-7-14-8)6-13-9-4-2-3-5-11(9)18(12,15)16/h2-5,7,13H,6H2,1H3,(H2,12,15,16).
What are the key properties of 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 63280801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).