N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide

C27H33F2N5OS — CID 138671298

IUPACN-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
SMILESCC(F)(F)CNc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3cccc4ncccc34)CC1)C2
InChIInChI=1S/C27H33F2N5OS/c1-27(28,29)17-31-26-33-23-16-34(15-12-24(23)36-26)14-11-18-7-9-19(10-8-18)32-25(35)21-4-2-6-22-20(21)5-3-13-30-22/h2-6,13,18-19H,7-12,14-17H2,1H3,(H,31,33)(H,32,35)
InChIKeyJSPZXDDLHSSTMS-UHFFFAOYSA-N
MW513.66 g/mol
LogP5.50
Rot. Bonds8

About N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide

N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide (PubChem CID 138671298) has the molecular formula C27H33F2N5OS and a molecular weight of 513.66 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
PubChem CID138671298
Molecular FormulaC27H33F2N5OS
Molecular Weight513.66 g/mol
Exact Mass513.24
IUPAC NameN-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
SMILESCC(F)(F)CNc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3cccc4ncccc34)CC1)C2
InChIInChI=1S/C27H33F2N5OS/c1-27(28,29)17-31-26-33-23-16-34(15-12-24(23)36-26)14-11-18-7-9-19(10-8-18)32-25(35)21-4-2-6-22-20(21)5-3-13-30-22/h2-6,13,18-19H,7-12,14-17H2,1H3,(H,31,33)(H,32,35)
InChIKeyJSPZXDDLHSSTMS-UHFFFAOYSA-N
XLogP5.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.66
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide (CID 138671298) is N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide is CC(F)(F)CNc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3cccc4ncccc34)CC1)C2.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide?
The InChIKey is JSPZXDDLHSSTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N5OS/c1-27(28,29)17-31-26-33-23-16-34(15-12-24(23)36-26)14-11-18-7-9-19(10-8-18)32-25(35)21-4-2-6-22-20(21)5-3-13-30-22/h2-6,13,18-19H,7-12,14-17H2,1H3,(H,31,33)(H,32,35).
What are the key properties of N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide?
N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide has a molecular weight of 513.66 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,2-difluoropropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide is sourced from PubChem (CID 138671298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).