N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

C22H27Cl2N5O3S2 — CID 68912573

IUPACN-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@H]3CCCC[C@H]3NS(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl
InChIInChI=1S/C22H26ClN5O3S2.ClH/c1-28-9-8-18-19(12-28)32-22(26-18)21(29)25-16-4-2-3-5-17(16)27-33(30,31)20-11-13-10-14(23)6-7-15(13)24-20;/h6-7,10-11,16-17,24,27H,2-5,8-9,12H2,1H3,(H,25,29);1H/t16-,17+;/m0./s1
InChIKeyXUKHCKJZDVESAK-MCJVGQIASA-N
MW544.53 g/mol
LogP3.71
Rot. Bonds5

About N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 68912573) has the molecular formula C22H27Cl2N5O3S2 and a molecular weight of 544.53 g/mol. Its IUPAC name is N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
PubChem CID68912573
Molecular FormulaC22H27Cl2N5O3S2
Molecular Weight544.53 g/mol
Exact Mass543.09
IUPAC NameN-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@H]3CCCC[C@H]3NS(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl
InChIInChI=1S/C22H26ClN5O3S2.ClH/c1-28-9-8-18-19(12-28)32-22(26-18)21(29)25-16-4-2-3-5-17(16)27-33(30,31)20-11-13-10-14(23)6-7-15(13)24-20;/h6-7,10-11,16-17,24,27H,2-5,8-9,12H2,1H3,(H,25,29);1H/t16-,17+;/m0./s1
InChIKeyXUKHCKJZDVESAK-MCJVGQIASA-N
XLogP3.71
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.53
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (CID 68912573) is N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is CN1CCc2nc(C(=O)N[C@H]3CCCC[C@H]3NS(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl.
What is the InChIKey of N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The InChIKey is XUKHCKJZDVESAK-MCJVGQIASA-N. The full InChI is InChI=1S/C22H26ClN5O3S2.ClH/c1-28-9-8-18-19(12-28)32-22(26-18)21(29)25-16-4-2-3-5-17(16)27-33(30,31)20-11-13-10-14(23)6-7-15(13)24-20;/h6-7,10-11,16-17,24,27H,2-5,8-9,12H2,1H3,(H,25,29);1H/t16-,17+;/m0./s1.
What are the key properties of N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 544.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[(5-chloro-1H-indol-2-yl)sulfonylamino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 68912573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).