N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine

C19H22F2N4OS — CID 169218580

IUPACN-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine
SMILESCN[C@@H](c1ccc(Nc2cnc3sc(C)nc3c2[C@@H](C)OC)cc1)C(F)F
InChIInChI=1S/C19H22F2N4OS/c1-10(26-4)15-14(9-23-19-17(15)24-11(2)27-19)25-13-7-5-12(6-8-13)16(22-3)18(20)21/h5-10,16,18,22,25H,1-4H3/t10-,16+/m1/s1
InChIKeyQCTHTMQQTSCAMO-HWPZZCPQSA-N
MW392.48 g/mol
LogP4.98
Rot. Bonds7

About N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine

N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine (PubChem CID 169218580) has the molecular formula C19H22F2N4OS and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine
PubChem CID169218580
Molecular FormulaC19H22F2N4OS
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine
SMILESCN[C@@H](c1ccc(Nc2cnc3sc(C)nc3c2[C@@H](C)OC)cc1)C(F)F
InChIInChI=1S/C19H22F2N4OS/c1-10(26-4)15-14(9-23-19-17(15)24-11(2)27-19)25-13-7-5-12(6-8-13)16(22-3)18(20)21/h5-10,16,18,22,25H,1-4H3/t10-,16+/m1/s1
InChIKeyQCTHTMQQTSCAMO-HWPZZCPQSA-N
XLogP4.98
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine?
The IUPAC name of N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine (CID 169218580) is N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine is CN[C@@H](c1ccc(Nc2cnc3sc(C)nc3c2[C@@H](C)OC)cc1)C(F)F.
What is the InChIKey of N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine?
The InChIKey is QCTHTMQQTSCAMO-HWPZZCPQSA-N. The full InChI is InChI=1S/C19H22F2N4OS/c1-10(26-4)15-14(9-23-19-17(15)24-11(2)27-19)25-13-7-5-12(6-8-13)16(22-3)18(20)21/h5-10,16,18,22,25H,1-4H3/t10-,16+/m1/s1.
What are the key properties of N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine?
N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine has a molecular weight of 392.48 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-2,2-difluoro-1-(methylamino)ethyl]phenyl]-7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 169218580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).