N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine

C21H22F2N4S — CID 143679046

IUPACN-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine
SMILESCC1=C(c2ccc(NCc3c(F)cccc3F)nc2)CN(C2=NCCS2)CC1
InChIInChI=1S/C21H22F2N4S/c1-14-7-9-27(21-24-8-10-28-21)13-17(14)15-5-6-20(25-11-15)26-12-16-18(22)3-2-4-19(16)23/h2-6,11H,7-10,12-13H2,1H3,(H,25,26)
InChIKeyJKKJUVKETLASCG-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.55
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine

N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine (PubChem CID 143679046) has the molecular formula C21H22F2N4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine
PubChem CID143679046
Molecular FormulaC21H22F2N4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine
SMILESCC1=C(c2ccc(NCc3c(F)cccc3F)nc2)CN(C2=NCCS2)CC1
InChIInChI=1S/C21H22F2N4S/c1-14-7-9-27(21-24-8-10-28-21)13-17(14)15-5-6-20(25-11-15)26-12-16-18(22)3-2-4-19(16)23/h2-6,11H,7-10,12-13H2,1H3,(H,25,26)
InChIKeyJKKJUVKETLASCG-UHFFFAOYSA-N
XLogP4.55
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine with MolForge

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Related Compounds

2-(Benzylamino)pyridine
CID 23362
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
WZ 811
CID 11565518
Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-
CID 971434
Thiourea, N-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-N'-2-pyridinyl-
CID 3073135
Thiourea, N-(2-(2,6-difluorophenyl)ethyl)-N'-(5-methyl-2-pyridinyl)-
CID 3001122
1-(4-methylpyridin-2-yl)-3-[2-[N-methyl-3-(trifluoromethyl)anilino]ethyl]thiourea
CID 49853062
N-benzyl-2-thiomorpholinopyrimidin-4-amine
CID 46871648
1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methylpyridin-2-yl)-3-phenylurea
CID 912947
Dimethyl{4-[(2-pyridylamino)methyl]phenyl}amine
CID 975588
N-(2-phenylethyl)-5-(trifluoromethyl)-2-pyridinamine
CID 2990515
1-(3-Methylpyridin-2-yl)-3-(2-phenylethyl)thiourea
CID 2240742

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine (CID 143679046) is N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine is CC1=C(c2ccc(NCc3c(F)cccc3F)nc2)CN(C2=NCCS2)CC1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine?
The InChIKey is JKKJUVKETLASCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4S/c1-14-7-9-27(21-24-8-10-28-21)13-17(14)15-5-6-20(25-11-15)26-12-16-18(22)3-2-4-19(16)23/h2-6,11H,7-10,12-13H2,1H3,(H,25,26).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine?
N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine has a molecular weight of 400.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-5-[1-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyridin-2-amine is sourced from PubChem (CID 143679046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).