4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol

C10H19N3O3S2 — CID 103359783

IUPAC4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCC(C)O
InChIInChI=1S/C10H19N3O3S2/c1-3-6-18(15,16)8-9(11)13-17-10(8)12-5-4-7(2)14/h7,12,14H,3-6H2,1-2H3,(H2,11,13)
InChIKeyHXGNNQOEPPJJQD-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.09
Rot. Bonds7

About 4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol

4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol (PubChem CID 103359783) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol
PubChem CID103359783
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC Name4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCC(C)O
InChIInChI=1S/C10H19N3O3S2/c1-3-6-18(15,16)8-9(11)13-17-10(8)12-5-4-7(2)14/h7,12,14H,3-6H2,1-2H3,(H2,11,13)
InChIKeyHXGNNQOEPPJJQD-UHFFFAOYSA-N
XLogP1.09
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol?
The IUPAC name of 4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol (CID 103359783) is 4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol is CCCS(=O)(=O)c1c(N)nsc1NCCC(C)O.
What is the InChIKey of 4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol?
The InChIKey is HXGNNQOEPPJJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-3-6-18(15,16)8-9(11)13-17-10(8)12-5-4-7(2)14/h7,12,14H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol?
4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol is sourced from PubChem (CID 103359783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).