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

C17H19F2N5S — CID 141313388

IUPAC(2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine
SMILESNC1=CN(c2cnn(C3CCCNC3)c2)[C@H](c2c(F)cccc2F)S1
InChIInChI=1S/C17H19F2N5S/c18-13-4-1-5-14(19)16(13)17-23(10-15(20)25-17)12-8-22-24(9-12)11-3-2-6-21-7-11/h1,4-5,8-11,17,21H,2-3,6-7,20H2/t11?,17-/m0/s1
InChIKeyDRQVZJQXTYGWPE-KLLZUTDZSA-N
MW363.44 g/mol
LogP3.10
Rot. Bonds3

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

(2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine (PubChem CID 141313388) has the molecular formula C17H19F2N5S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine.

Molecular Properties

Compound Name(2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine
PubChem CID141313388
Molecular FormulaC17H19F2N5S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name(2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine
SMILESNC1=CN(c2cnn(C3CCCNC3)c2)[C@H](c2c(F)cccc2F)S1
InChIInChI=1S/C17H19F2N5S/c18-13-4-1-5-14(19)16(13)17-23(10-15(20)25-17)12-8-22-24(9-12)11-3-2-6-21-7-11/h1,4-5,8-11,17,21H,2-3,6-7,20H2/t11?,17-/m0/s1
InChIKeyDRQVZJQXTYGWPE-KLLZUTDZSA-N
XLogP3.10
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine?
The IUPAC name of (2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine (CID 141313388) is (2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine.
What is the SMILES notation for (2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine?
The canonical SMILES for (2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine is NC1=CN(c2cnn(C3CCCNC3)c2)[C@H](c2c(F)cccc2F)S1.
What is the InChIKey of (2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine?
The InChIKey is DRQVZJQXTYGWPE-KLLZUTDZSA-N. The full InChI is InChI=1S/C17H19F2N5S/c18-13-4-1-5-14(19)16(13)17-23(10-15(20)25-17)12-8-22-24(9-12)11-3-2-6-21-7-11/h1,4-5,8-11,17,21H,2-3,6-7,20H2/t11?,17-/m0/s1.
What are the key properties of (2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine?
(2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine has a molecular weight of 363.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-difluorophenyl)-3-(1-piperidin-3-ylpyrazol-4-yl)-2H-1,3-thiazol-5-amine is sourced from PubChem (CID 141313388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).