2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide

C14H20N4O2S2 — CID 133435926

IUPAC2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide
SMILESCC(CN(C)Cc1ccccc1)Nc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C14H20N4O2S2/c1-11(9-18(2)10-12-6-4-3-5-7-12)17-14-16-8-13(21-14)22(15,19)20/h3-8,11H,9-10H2,1-2H3,(H,16,17)(H2,15,19,20)
InChIKeyQTAAUIZCTOTLBY-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.72
Rot. Bonds7

About 2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide

2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133435926) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133435926
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC Name2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide
SMILESCC(CN(C)Cc1ccccc1)Nc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C14H20N4O2S2/c1-11(9-18(2)10-12-6-4-3-5-7-12)17-14-16-8-13(21-14)22(15,19)20/h3-8,11H,9-10H2,1-2H3,(H,16,17)(H2,15,19,20)
InChIKeyQTAAUIZCTOTLBY-UHFFFAOYSA-N
XLogP1.72
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 133435889
1-N-benzyl-1-N-methyl-2-N-(4-methylsulfonylphenyl)propane-1,2-diamine
CID 133452642
2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide
CID 133307208
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
CID 130563657
2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide
CID 51106873
methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 59242422
2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
CID 102767271
1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
CID 130563731
1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
CID 133435832
2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide
CID 133412840
1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine
CID 133435886
2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133331367

Frequently Asked Questions

What is the IUPAC name of 2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide (CID 133435926) is 2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide is CC(CN(C)Cc1ccccc1)Nc1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is QTAAUIZCTOTLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-11(9-18(2)10-12-6-4-3-5-7-12)17-14-16-8-13(21-14)22(15,19)20/h3-8,11H,9-10H2,1-2H3,(H,16,17)(H2,15,19,20).
What are the key properties of 2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide?
2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 340.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133435926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).