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

C38H49Cl2N9O6S4 — CID 173212102

IUPAC3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride
SMILESCCCC(CNc1nc(-c2ccccn2)cs1)NS(=O)(=O)c1c(C)noc1C.CCCC(CNc1nc(-c2ccccn2)cs1)NS(=O)(=O)c1ccc(OC)cc1.Cl.Cl
InChIInChI=1S/C20H24N4O3S2.C18H23N5O3S2.2ClH/c1-3-6-15(24-29(25,26)17-10-8-16(27-2)9-11-17)13-22-20-23-19(14-28-20)18-7-4-5-12-21-18;1-4-7-14(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;;/h4-5,7-12,14-15,24H,3,6,13H2,1-2H3,(H,22,23);5-6,8-9,11,14,23H,4,7,10H2,1-3H3,(H,20,21);2*1H
InChIKeyVRVMVHVBZKMZNM-UHFFFAOYSA-N
MW927.04 g/mol
LogP7.99
Rot. Bonds19

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

3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride (PubChem CID 173212102) has the molecular formula C38H49Cl2N9O6S4 and a molecular weight of 927.04 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;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride.

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;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride
PubChem CID173212102
Molecular FormulaC38H49Cl2N9O6S4
Molecular Weight927.04 g/mol
Exact Mass925.21
IUPAC Name3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride
SMILESCCCC(CNc1nc(-c2ccccn2)cs1)NS(=O)(=O)c1c(C)noc1C.CCCC(CNc1nc(-c2ccccn2)cs1)NS(=O)(=O)c1ccc(OC)cc1.Cl.Cl
InChIInChI=1S/C20H24N4O3S2.C18H23N5O3S2.2ClH/c1-3-6-15(24-29(25,26)17-10-8-16(27-2)9-11-17)13-22-20-23-19(14-28-20)18-7-4-5-12-21-18;1-4-7-14(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;;/h4-5,7-12,14-15,24H,3,6,13H2,1-2H3,(H,22,23);5-6,8-9,11,14,23H,4,7,10H2,1-3H3,(H,20,21);2*1H
InChIKeyVRVMVHVBZKMZNM-UHFFFAOYSA-N
XLogP7.99
TPSA203.22 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.04
LogP ≤ 57.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride with MolForge

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Related Compounds

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
3,5-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-1,2-oxazole-4-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
CID 158783660
3,5-dimethyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-1,2-oxazole-4-sulfonamide;methane;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
CID 161122604
2-fluoro-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride
CID 173212844
4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 17557166
3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide
CID 87263765

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;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride?
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;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride (CID 173212102) is 3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride.
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;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride?
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;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride is CCCC(CNc1nc(-c2ccccn2)cs1)NS(=O)(=O)c1c(C)noc1C.CCCC(CNc1nc(-c2ccccn2)cs1)NS(=O)(=O)c1ccc(OC)cc1.Cl.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;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride?
The InChIKey is VRVMVHVBZKMZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2.C18H23N5O3S2.2ClH/c1-3-6-15(24-29(25,26)17-10-8-16(27-2)9-11-17)13-22-20-23-19(14-28-20)18-7-4-5-12-21-18;1-4-7-14(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;;/h4-5,7-12,14-15,24H,3,6,13H2,1-2H3,(H,22,23);5-6,8-9,11,14,23H,4,7,10H2,1-3H3,(H,20,21);2*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;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride?
3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride has a molecular weight of 927.04 g/mol, XLogP of 7.99, 19 rotatable bonds, 4 hydrogen bond donors, and 15 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;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 173212102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).