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

C15H15FN4S — CID 82528377

IUPACN-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cnn(-c3ccc(F)cc3)c2C)cs1
InChIInChI=1S/C15H15FN4S/c1-3-17-15-19-14(9-21-15)13-8-18-20(10(13)2)12-6-4-11(16)5-7-12/h4-9H,3H2,1-2H3,(H,17,19)
InChIKeyWVXKCBUKBHVHNP-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.88
Rot. Bonds4

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

N-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 82528377) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is N-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine
PubChem CID82528377
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC NameN-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cnn(-c3ccc(F)cc3)c2C)cs1
InChIInChI=1S/C15H15FN4S/c1-3-17-15-19-14(9-21-15)13-8-18-20(10(13)2)12-6-4-11(16)5-7-12/h4-9H,3H2,1-2H3,(H,17,19)
InChIKeyWVXKCBUKBHVHNP-UHFFFAOYSA-N
XLogP3.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine (CID 82528377) is N-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine is CCNc1nc(-c2cnn(-c3ccc(F)cc3)c2C)cs1.
What is the InChIKey of N-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is WVXKCBUKBHVHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c1-3-17-15-19-14(9-21-15)13-8-18-20(10(13)2)12-6-4-11(16)5-7-12/h4-9H,3H2,1-2H3,(H,17,19).
What are the key properties of N-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine?
N-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 302.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82528377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).