N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

C20H23F2N5OS — CID 29048706

IUPACN-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2c(F)cccc2F)sc1-c1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C20H23F2N5OS/c1-14-19(18-5-6-27(25-18)8-7-26-9-11-28-12-10-26)29-20(24-14)23-13-15-16(21)3-2-4-17(15)22/h2-6H,7-13H2,1H3,(H,23,24)
InChIKeyVBPCHPFDXYROIQ-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.54
Rot. Bonds7

About N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 29048706) has the molecular formula C20H23F2N5OS and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID29048706
Molecular FormulaC20H23F2N5OS
Molecular Weight419.50 g/mol
Exact Mass419.16
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2c(F)cccc2F)sc1-c1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C20H23F2N5OS/c1-14-19(18-5-6-27(25-18)8-7-26-9-11-28-12-10-26)29-20(24-14)23-13-15-16(21)3-2-4-17(15)22/h2-6H,7-13H2,1H3,(H,23,24)
InChIKeyVBPCHPFDXYROIQ-UHFFFAOYSA-N
XLogP3.54
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (CID 29048706) is N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(NCc2c(F)cccc2F)sc1-c1ccn(CCN2CCOCC2)n1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is VBPCHPFDXYROIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5OS/c1-14-19(18-5-6-27(25-18)8-7-26-9-11-28-12-10-26)29-20(24-14)23-13-15-16(21)3-2-4-17(15)22/h2-6H,7-13H2,1H3,(H,23,24).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 419.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 29048706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).