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

C14H19N3O2S2 — CID 84600935

IUPAC3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide
SMILESCCC(NCc1cnc(C)s1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H19N3O2S2/c1-3-14(17-9-12-8-16-10(2)20-12)11-5-4-6-13(7-11)21(15,18)19/h4-8,14,17H,3,9H2,1-2H3,(H2,15,18,19)
InChIKeyVMIIYFYVUWEWTA-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.34
Rot. Bonds6

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

3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide (PubChem CID 84600935) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide
PubChem CID84600935
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide
SMILESCCC(NCc1cnc(C)s1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H19N3O2S2/c1-3-14(17-9-12-8-16-10(2)20-12)11-5-4-6-13(7-11)21(15,18)19/h4-8,14,17H,3,9H2,1-2H3,(H2,15,18,19)
InChIKeyVMIIYFYVUWEWTA-UHFFFAOYSA-N
XLogP2.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282183
3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 62055705
1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide
CID 86787334
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
CID 60777946
3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide
CID 60697901
3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 115898575
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028
3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide
CID 95329361
3-[(1R)-1-[3-(cyanomethylsulfanyl)propylamino]propyl]benzenesulfonamide
CID 97258477

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide (CID 84600935) is 3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide is CCC(NCc1cnc(C)s1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide?
The InChIKey is VMIIYFYVUWEWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-3-14(17-9-12-8-16-10(2)20-12)11-5-4-6-13(7-11)21(15,18)19/h4-8,14,17H,3,9H2,1-2H3,(H2,15,18,19).
What are the key properties of 3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide?
3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide is sourced from PubChem (CID 84600935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).