2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine

C18H21F2N5S — CID 141313459

IUPAC2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine
SMILESCn1ncc(N2C=C(N)SC2c2c(F)cccc2F)c1C1CCNCC1
InChIInChI=1S/C18H21F2N5S/c1-24-17(11-5-7-22-8-6-11)14(9-23-24)25-10-15(21)26-18(25)16-12(19)3-2-4-13(16)20/h2-4,9-11,18,22H,5-8,21H2,1H3
InChIKeyGOKRPJOGLBYUNM-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.17
Rot. Bonds3

About 2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine

2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine (PubChem CID 141313459) has the molecular formula C18H21F2N5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine
PubChem CID141313459
Molecular FormulaC18H21F2N5S
Molecular Weight377.46 g/mol
Exact Mass377.15
IUPAC Name2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine
SMILESCn1ncc(N2C=C(N)SC2c2c(F)cccc2F)c1C1CCNCC1
InChIInChI=1S/C18H21F2N5S/c1-24-17(11-5-7-22-8-6-11)14(9-23-24)25-10-15(21)26-18(25)16-12(19)3-2-4-13(16)20/h2-4,9-11,18,22H,5-8,21H2,1H3
InChIKeyGOKRPJOGLBYUNM-UHFFFAOYSA-N
XLogP3.17
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine (CID 141313459) is 2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine is Cn1ncc(N2C=C(N)SC2c2c(F)cccc2F)c1C1CCNCC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine?
The InChIKey is GOKRPJOGLBYUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5S/c1-24-17(11-5-7-22-8-6-11)14(9-23-24)25-10-15(21)26-18(25)16-12(19)3-2-4-13(16)20/h2-4,9-11,18,22H,5-8,21H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine?
2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine has a molecular weight of 377.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-3-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine is sourced from PubChem (CID 141313459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).