N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide

C12H15N3O2S2 — CID 103951424

IUPACN-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCc2ccccc2CN)s1
InChIInChI=1S/C12H15N3O2S2/c1-9-14-8-12(18-9)19(16,17)15-7-11-5-3-2-4-10(11)6-13/h2-5,8,15H,6-7,13H2,1H3
InChIKeyIWLMEAGSGZOSKL-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.39
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide

N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103951424) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103951424
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCc2ccccc2CN)s1
InChIInChI=1S/C12H15N3O2S2/c1-9-14-8-12(18-9)19(16,17)15-7-11-5-3-2-4-10(11)6-13/h2-5,8,15H,6-7,13H2,1H3
InChIKeyIWLMEAGSGZOSKL-UHFFFAOYSA-N
XLogP1.39
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 91811051
N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413904
N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415343
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
3-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]benzoic acid
CID 104538249
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594
N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide
CID 55157164
N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106315234

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103951424) is N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCc2ccccc2CN)s1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is IWLMEAGSGZOSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-9-14-8-12(18-9)19(16,17)15-7-11-5-3-2-4-10(11)6-13/h2-5,8,15H,6-7,13H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103951424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).