3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide

C12H25N5O2S2 — CID 106044547

IUPAC3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide
SMILESCC(C)N(C)CCCNc1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C12H25N5O2S2/c1-9(2)17(5)8-6-7-14-12-10(11(13)15-20-12)21(18,19)16(3)4/h9,14H,6-8H2,1-5H3,(H2,13,15)
InChIKeyOFTUOLYSQQZZFD-UHFFFAOYSA-N
MW335.50 g/mol
LogP1.12
Rot. Bonds8

About 3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide

3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide (PubChem CID 106044547) has the molecular formula C12H25N5O2S2 and a molecular weight of 335.50 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide
PubChem CID106044547
Molecular FormulaC12H25N5O2S2
Molecular Weight335.50 g/mol
Exact Mass335.14
IUPAC Name3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide
SMILESCC(C)N(C)CCCNc1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C12H25N5O2S2/c1-9(2)17(5)8-6-7-14-12-10(11(13)15-20-12)21(18,19)16(3)4/h9,14H,6-8H2,1-5H3,(H2,13,15)
InChIKeyOFTUOLYSQQZZFD-UHFFFAOYSA-N
XLogP1.12
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide (CID 106044547) is 3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide is CC(C)N(C)CCCNc1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide?
The InChIKey is OFTUOLYSQQZZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2S2/c1-9(2)17(5)8-6-7-14-12-10(11(13)15-20-12)21(18,19)16(3)4/h9,14H,6-8H2,1-5H3,(H2,13,15).
What are the key properties of 3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide has a molecular weight of 335.50 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 106044547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).