2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide

C10H12N4O2S2 — CID 63945197

IUPAC2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C10H12N4O2S2/c1-7-9(17-10(11)14-7)18(15,16)13-6-8-3-2-4-12-5-8/h2-5,13H,6H2,1H3,(H2,11,14)
InChIKeyRKJHYQQTLBURLE-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.91
Rot. Bonds4

About 2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide

2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63945197) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID63945197
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C10H12N4O2S2/c1-7-9(17-10(11)14-7)18(15,16)13-6-8-3-2-4-12-5-8/h2-5,13H,6H2,1H3,(H2,11,14)
InChIKeyRKJHYQQTLBURLE-UHFFFAOYSA-N
XLogP0.91
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 103171067
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63945805
N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 118741351
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 106373822
2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 63945031
3-amino-4-fluoro-2,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 107325579
4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60984178
2-amino-N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 24743541
5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106030764
2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946588
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide (CID 63945197) is 2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is RKJHYQQTLBURLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-7-9(17-10(11)14-7)18(15,16)13-6-8-3-2-4-12-5-8/h2-5,13H,6H2,1H3,(H2,11,14).
What are the key properties of 2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 284.37 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).