N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride

C25H36ClF2N5O4S2 — CID 166630098

IUPACN-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride
SMILESCC(C)CS(=O)(=O)NC1CCC(Nc2nc(N)c(C(=O)c3c(F)cc(CN4CCOCC4)cc3F)s2)CC1.Cl
InChIInChI=1S/C25H35F2N5O4S2.ClH/c1-15(2)14-38(34,35)31-18-5-3-17(4-6-18)29-25-30-24(28)23(37-25)22(33)21-19(26)11-16(12-20(21)27)13-32-7-9-36-10-8-32;/h11-12,15,17-18,31H,3-10,13-14,28H2,1-2H3,(H,29,30);1H
InChIKeyWLOGRWQPKJMTDY-UHFFFAOYSA-N
MW608.18 g/mol
LogP3.79
Rot. Bonds10

About N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride

N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride (PubChem CID 166630098) has the molecular formula C25H36ClF2N5O4S2 and a molecular weight of 608.18 g/mol. Its IUPAC name is N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride
PubChem CID166630098
Molecular FormulaC25H36ClF2N5O4S2
Molecular Weight608.18 g/mol
Exact Mass607.19
IUPAC NameN-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride
SMILESCC(C)CS(=O)(=O)NC1CCC(Nc2nc(N)c(C(=O)c3c(F)cc(CN4CCOCC4)cc3F)s2)CC1.Cl
InChIInChI=1S/C25H35F2N5O4S2.ClH/c1-15(2)14-38(34,35)31-18-5-3-17(4-6-18)29-25-30-24(28)23(37-25)22(33)21-19(26)11-16(12-20(21)27)13-32-7-9-36-10-8-32;/h11-12,15,17-18,31H,3-10,13-14,28H2,1-2H3,(H,29,30);1H
InChIKeyWLOGRWQPKJMTDY-UHFFFAOYSA-N
XLogP3.79
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.18
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride (CID 166630098) is N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride is CC(C)CS(=O)(=O)NC1CCC(Nc2nc(N)c(C(=O)c3c(F)cc(CN4CCOCC4)cc3F)s2)CC1.Cl.
What is the InChIKey of N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride?
The InChIKey is WLOGRWQPKJMTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F2N5O4S2.ClH/c1-15(2)14-38(34,35)31-18-5-3-17(4-6-18)29-25-30-24(28)23(37-25)22(33)21-19(26)11-16(12-20(21)27)13-32-7-9-36-10-8-32;/h11-12,15,17-18,31H,3-10,13-14,28H2,1-2H3,(H,29,30);1H.
What are the key properties of N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride?
N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride has a molecular weight of 608.18 g/mol, XLogP of 3.79, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-amino-5-[2,6-difluoro-4-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 166630098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).