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

C16H19F2N5S — CID 141313403

IUPAC2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine
SMILESCN(C)CCn1cc(N2C=C(N)SC2c2c(F)cccc2F)cn1
InChIInChI=1S/C16H19F2N5S/c1-21(2)6-7-22-9-11(8-20-22)23-10-14(19)24-16(23)15-12(17)4-3-5-13(15)18/h3-5,8-10,16H,6-7,19H2,1-2H3
InChIKeyLTDNTZISDGARQZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.73
Rot. Bonds5

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

2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine (PubChem CID 141313403) has the molecular formula C16H19F2N5S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine
PubChem CID141313403
Molecular FormulaC16H19F2N5S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine
SMILESCN(C)CCn1cc(N2C=C(N)SC2c2c(F)cccc2F)cn1
InChIInChI=1S/C16H19F2N5S/c1-21(2)6-7-22-9-11(8-20-22)23-10-14(19)24-16(23)15-12(17)4-3-5-13(15)18/h3-5,8-10,16H,6-7,19H2,1-2H3
InChIKeyLTDNTZISDGARQZ-UHFFFAOYSA-N
XLogP2.73
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine (CID 141313403) is 2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine is CN(C)CCn1cc(N2C=C(N)SC2c2c(F)cccc2F)cn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine?
The InChIKey is LTDNTZISDGARQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5S/c1-21(2)6-7-22-9-11(8-20-22)23-10-14(19)24-16(23)15-12(17)4-3-5-13(15)18/h3-5,8-10,16H,6-7,19H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine?
2-(2,6-difluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine has a molecular weight of 351.43 g/mol, XLogP of 2.73, 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-(dimethylamino)ethyl]pyrazol-4-yl]-2H-1,3-thiazol-5-amine is sourced from PubChem (CID 141313403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).