N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

C18H17FN6S — CID 155561296

IUPACN-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCCn1nccc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1
InChIInChI=1S/C18H17FN6S/c1-3-25-17(6-7-21-25)23-18-22-15(10-26-18)13-4-5-16(14(19)8-13)24-9-12(2)20-11-24/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyQJVFENDDASKQHL-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.40
Rot. Bonds5

About N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 155561296) has the molecular formula C18H17FN6S and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID155561296
Molecular FormulaC18H17FN6S
Molecular Weight368.44 g/mol
Exact Mass368.12
IUPAC NameN-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCCn1nccc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1
InChIInChI=1S/C18H17FN6S/c1-3-25-17(6-7-21-25)23-18-22-15(10-26-18)13-4-5-16(14(19)8-13)24-9-12(2)20-11-24/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyQJVFENDDASKQHL-UHFFFAOYSA-N
XLogP4.40
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 155561296) is N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is CCn1nccc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is QJVFENDDASKQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6S/c1-3-25-17(6-7-21-25)23-18-22-15(10-26-18)13-4-5-16(14(19)8-13)24-9-12(2)20-11-24/h4-11H,3H2,1-2H3,(H,22,23).
What are the key properties of N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 368.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155561296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).