N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine

C15H15FN4S — CID 25205061

IUPACN-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2csc(Nc3ccccc3F)n2)cn1
InChIInChI=1S/C15H15FN4S/c1-2-7-20-9-11(8-17-20)14-10-21-15(19-14)18-13-6-4-3-5-12(13)16/h3-6,8-10H,2,7H2,1H3,(H,18,19)
InChIKeySSTLEPAHAWHEQE-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.30
Rot. Bonds5

About N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine

N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 25205061) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID25205061
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC NameN-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2csc(Nc3ccccc3F)n2)cn1
InChIInChI=1S/C15H15FN4S/c1-2-7-20-9-11(8-17-20)14-10-21-15(19-14)18-13-6-4-3-5-12(13)16/h3-6,8-10H,2,7H2,1H3,(H,18,19)
InChIKeySSTLEPAHAWHEQE-UHFFFAOYSA-N
XLogP4.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 25205061) is N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine is CCCn1cc(-c2csc(Nc3ccccc3F)n2)cn1.
What is the InChIKey of N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is SSTLEPAHAWHEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c1-2-7-20-9-11(8-17-20)14-10-21-15(19-14)18-13-6-4-3-5-12(13)16/h3-6,8-10H,2,7H2,1H3,(H,18,19).
What are the key properties of N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 302.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25205061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).