3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride

C18H24ClN5O3S2 — CID 87263764

IUPAC3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCCCC(CNc1nc(-c2ccccn2)cs1)NS(=O)(=O)c1c(C)noc1C.Cl
InChIInChI=1S/C18H23N5O3S2.ClH/c1-4-7-14(23-28(24,25)17-12(2)22-26-13(17)3)10-20-18-21-16(11-27-18)15-8-5-6-9-19-15;/h5-6,8-9,11,14,23H,4,7,10H2,1-3H3,(H,20,21);1H
InChIKeyQITXAPLCDJIZPU-UHFFFAOYSA-N
MW458.01 g/mol
LogP3.79
Rot. Bonds9

About 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride

3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride (PubChem CID 87263764) has the molecular formula C18H24ClN5O3S2 and a molecular weight of 458.01 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride
PubChem CID87263764
Molecular FormulaC18H24ClN5O3S2
Molecular Weight458.01 g/mol
Exact Mass457.10
IUPAC Name3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCCCC(CNc1nc(-c2ccccn2)cs1)NS(=O)(=O)c1c(C)noc1C.Cl
InChIInChI=1S/C18H23N5O3S2.ClH/c1-4-7-14(23-28(24,25)17-12(2)22-26-13(17)3)10-20-18-21-16(11-27-18)15-8-5-6-9-19-15;/h5-6,8-9,11,14,23H,4,7,10H2,1-3H3,(H,20,21);1H
InChIKeyQITXAPLCDJIZPU-UHFFFAOYSA-N
XLogP3.79
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.01
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride 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 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride (CID 87263764) is 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride is CCCC(CNc1nc(-c2ccccn2)cs1)NS(=O)(=O)c1c(C)noc1C.Cl.
What is the InChIKey of 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride?
The InChIKey is QITXAPLCDJIZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S2.ClH/c1-4-7-14(23-28(24,25)17-12(2)22-26-13(17)3)10-20-18-21-16(11-27-18)15-8-5-6-9-19-15;/h5-6,8-9,11,14,23H,4,7,10H2,1-3H3,(H,20,21);1H.
What are the key properties of 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride?
3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride has a molecular weight of 458.01 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 87263764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).