1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol

C11H19N3O3S2 — CID 103349845

IUPAC1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H19N3O3S2/c1-2-7(15)5-6-13-11-9(10(12)14-18-11)19(16,17)8-3-4-8/h7-8,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyLQVWFLAYXYJRPQ-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.23
Rot. Bonds7

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

1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol (PubChem CID 103349845) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol
PubChem CID103349845
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H19N3O3S2/c1-2-7(15)5-6-13-11-9(10(12)14-18-11)19(16,17)8-3-4-8/h7-8,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyLQVWFLAYXYJRPQ-UHFFFAOYSA-N
XLogP1.23
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol?
The IUPAC name of 1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol (CID 103349845) is 1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol?
The canonical SMILES for 1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol is CCC(O)CCNc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol?
The InChIKey is LQVWFLAYXYJRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-2-7(15)5-6-13-11-9(10(12)14-18-11)19(16,17)8-3-4-8/h7-8,13,15H,2-6H2,1H3,(H2,12,14).
What are the key properties of 1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol?
1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol has a molecular weight of 305.43 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]pentan-3-ol is sourced from PubChem (CID 103349845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).