N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C14H22N4OS — CID 18442874

IUPACN-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3N)sc2C1
InChIInChI=1S/C14H22N4OS/c1-18-7-6-11-12(8-18)20-14(17-11)13(19)16-10-5-3-2-4-9(10)15/h9-10H,2-8,15H2,1H3,(H,16,19)/t9-,10-/m1/s1
InChIKeyPSMGFOGNPRGVJV-NXEZZACHSA-N
MW294.42 g/mol
LogP1.13
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 18442874) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID18442874
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3N)sc2C1
InChIInChI=1S/C14H22N4OS/c1-18-7-6-11-12(8-18)20-14(17-11)13(19)16-10-5-3-2-4-9(10)15/h9-10H,2-8,15H2,1H3,(H,16,19)/t9-,10-/m1/s1
InChIKeyPSMGFOGNPRGVJV-NXEZZACHSA-N
XLogP1.13
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 18442874) is N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3N)sc2C1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is PSMGFOGNPRGVJV-NXEZZACHSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-18-7-6-11-12(8-18)20-14(17-11)13(19)16-10-5-3-2-4-9(10)15/h9-10H,2-8,15H2,1H3,(H,16,19)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 18442874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).