N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine

C22H21F2N5S — CID 91257708

IUPACN-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine
SMILESCC(C)c1sc(-c2cnn(C)c2)nc1-c1ccc(NCc2ccc(F)cc2F)nc1
InChIInChI=1S/C22H21F2N5S/c1-13(2)21-20(28-22(30-21)16-11-27-29(3)12-16)15-5-7-19(26-10-15)25-9-14-4-6-17(23)8-18(14)24/h4-8,10-13H,9H2,1-3H3,(H,25,26)
InChIKeyJIHYATRFLGQRJS-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.62
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine

N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine (PubChem CID 91257708) has the molecular formula C22H21F2N5S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine
PubChem CID91257708
Molecular FormulaC22H21F2N5S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine
SMILESCC(C)c1sc(-c2cnn(C)c2)nc1-c1ccc(NCc2ccc(F)cc2F)nc1
InChIInChI=1S/C22H21F2N5S/c1-13(2)21-20(28-22(30-21)16-11-27-29(3)12-16)15-5-7-19(26-10-15)25-9-14-4-6-17(23)8-18(14)24/h4-8,10-13H,9H2,1-3H3,(H,25,26)
InChIKeyJIHYATRFLGQRJS-UHFFFAOYSA-N
XLogP5.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
mGluR4-PAM-1
CID 46836562
Thiazole derivative 4
CID 73891136
4-(4-Fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-(2-(1-(S)-Phenylethyl)amino-4-pyridinyl)thiazole
CID 10390073
[4-(4-Fluoro-phenyl)-thiazol-2-yl]-(5-methyl-pyridin-2-yl)-amine
CID 972745
[4-(4-Fluoro-phenyl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 1092431
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2573156
N-cyclopentyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 9947156
Benzyl-[4-(2-ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-amine
CID 10134696
2-(5-(3-methyl-4-(thiazol-4-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 10139707
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]-N-(2-phenylethyl)amine
CID 10200958

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine (CID 91257708) is N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine is CC(C)c1sc(-c2cnn(C)c2)nc1-c1ccc(NCc2ccc(F)cc2F)nc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine?
The InChIKey is JIHYATRFLGQRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5S/c1-13(2)21-20(28-22(30-21)16-11-27-29(3)12-16)15-5-7-19(26-10-15)25-9-14-4-6-17(23)8-18(14)24/h4-8,10-13H,9H2,1-3H3,(H,25,26).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine?
N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine has a molecular weight of 425.51 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 91257708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).