5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine

C18H22FN5S — CID 25294454

IUPAC5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccccc2F)sc1-c1ccn(CCN(C)C)n1
InChIInChI=1S/C18H22FN5S/c1-13-17(16-8-9-24(22-16)11-10-23(2)3)25-18(21-13)20-12-14-6-4-5-7-15(14)19/h4-9H,10-12H2,1-3H3,(H,20,21)
InChIKeyXFYGVEQHPUAYPJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.63
Rot. Bonds7

About 5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine

5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 25294454) has the molecular formula C18H22FN5S and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID25294454
Molecular FormulaC18H22FN5S
Molecular Weight359.47 g/mol
Exact Mass359.16
IUPAC Name5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccccc2F)sc1-c1ccn(CCN(C)C)n1
InChIInChI=1S/C18H22FN5S/c1-13-17(16-8-9-24(22-16)11-10-23(2)3)25-18(21-13)20-12-14-6-4-5-7-15(14)19/h4-9H,10-12H2,1-3H3,(H,20,21)
InChIKeyXFYGVEQHPUAYPJ-UHFFFAOYSA-N
XLogP3.63
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 25294454) is 5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(NCc2ccccc2F)sc1-c1ccn(CCN(C)C)n1.
What is the InChIKey of 5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is XFYGVEQHPUAYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5S/c1-13-17(16-8-9-24(22-16)11-10-23(2)3)25-18(21-13)20-12-14-6-4-5-7-15(14)19/h4-9H,10-12H2,1-3H3,(H,20,21).
What are the key properties of 5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 359.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 25294454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).