2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine

C19H23F2N5S — CID 141313447

IUPAC2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine
SMILESNC1=CN(c2cnn(CCN3CCCCC3)c2)C(c2c(F)cccc2F)S1
InChIInChI=1S/C19H23F2N5S/c20-15-5-4-6-16(21)18(15)19-26(13-17(22)27-19)14-11-23-25(12-14)10-9-24-7-2-1-3-8-24/h4-6,11-13,19H,1-3,7-10,22H2
InChIKeyIXSPOTYUKMTMPG-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.66
Rot. Bonds5

About 2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine

2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine (PubChem CID 141313447) has the molecular formula C19H23F2N5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine
PubChem CID141313447
Molecular FormulaC19H23F2N5S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine
SMILESNC1=CN(c2cnn(CCN3CCCCC3)c2)C(c2c(F)cccc2F)S1
InChIInChI=1S/C19H23F2N5S/c20-15-5-4-6-16(21)18(15)19-26(13-17(22)27-19)14-11-23-25(12-14)10-9-24-7-2-1-3-8-24/h4-6,11-13,19H,1-3,7-10,22H2
InChIKeyIXSPOTYUKMTMPG-UHFFFAOYSA-N
XLogP3.66
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Fluoro-benzyl)-1H-pyrazol-4-ylamine
CID 4362222
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
1-((3-fluorophenyl)methyl)-1H-pyrazol-4-amine hydrochloride
CID 44630919
1-((3-fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 6483867
[1-[(2,6-Difluorophenyl)methyl]triazol-4-yl]methyl piperazine-1-carbodithioate
CID 71760961
[1-[(2-Fluorophenyl)methyl]triazol-4-yl]methyl 4-methylpiperazine-1-carbodithioate
CID 72713758
[1-[(4-Fluorophenyl)methyl]triazol-4-yl]methyl 4-methylpiperazine-1-carbodithioate
CID 72713760
[1-[(2-Fluorophenyl)methyl]triazol-4-yl]methyl 4-ethylpiperazine-1-carbodithioate
CID 72713763
[1-[(2-Fluorophenyl)methyl]triazol-4-yl]methyl piperidine-1-carbodithioate
CID 72714188
[1-[(4-Fluorophenyl)methyl]triazol-4-yl]methyl piperidine-1-carbodithioate
CID 72714189
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorobenzyl)piperazine
CID 56888460

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine (CID 141313447) is 2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine is NC1=CN(c2cnn(CCN3CCCCC3)c2)C(c2c(F)cccc2F)S1.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine?
The InChIKey is IXSPOTYUKMTMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5S/c20-15-5-4-6-16(21)18(15)19-26(13-17(22)27-19)14-11-23-25(12-14)10-9-24-7-2-1-3-8-24/h4-6,11-13,19H,1-3,7-10,22H2.
What are the key properties of 2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine?
2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine has a molecular weight of 391.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-3-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-2H-1,3-thiazol-5-amine is sourced from PubChem (CID 141313447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).