(4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone

C18H12FN3OS2 — CID 2744262

IUPAC(4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
SMILESCc1nc(-c2cccs2)sc1-c1ccnn1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3OS2/c1-11-16(25-17(21-11)15-3-2-10-24-15)14-8-9-20-22(14)18(23)12-4-6-13(19)7-5-12/h2-10H,1H3
InChIKeyNBGNBENOEBTLSM-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.87
Rot. Bonds3

About (4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone

(4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone (PubChem CID 2744262) has the molecular formula C18H12FN3OS2 and a molecular weight of 369.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
PubChem CID2744262
Molecular FormulaC18H12FN3OS2
Molecular Weight369.45 g/mol
Exact Mass369.04
IUPAC Name(4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
SMILESCc1nc(-c2cccs2)sc1-c1ccnn1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3OS2/c1-11-16(25-17(21-11)15-3-2-10-24-15)14-8-9-20-22(14)18(23)12-4-6-13(19)7-5-12/h2-10H,1H3
InChIKeyNBGNBENOEBTLSM-UHFFFAOYSA-N
XLogP4.87
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone (CID 2744262) is (4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone is Cc1nc(-c2cccs2)sc1-c1ccnn1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The InChIKey is NBGNBENOEBTLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS2/c1-11-16(25-17(21-11)15-3-2-10-24-15)14-8-9-20-22(14)18(23)12-4-6-13(19)7-5-12/h2-10H,1H3.
What are the key properties of (4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
(4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone has a molecular weight of 369.45 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone is sourced from PubChem (CID 2744262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).