(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone

C19H19FN4OS2 — CID 71780387

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3nnc(-c4ccccc4F)s3)C2)s1
InChIInChI=1S/C19H19FN4OS2/c1-11-16(26-12(2)21-11)19(25)24-9-5-6-13(10-24)17-22-23-18(27-17)14-7-3-4-8-15(14)20/h3-4,7-8,13H,5-6,9-10H2,1-2H3
InChIKeyJIELRBFSMHTZRP-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.44
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 71780387) has the molecular formula C19H19FN4OS2 and a molecular weight of 402.52 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID71780387
Molecular FormulaC19H19FN4OS2
Molecular Weight402.52 g/mol
Exact Mass402.10
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3nnc(-c4ccccc4F)s3)C2)s1
InChIInChI=1S/C19H19FN4OS2/c1-11-16(26-12(2)21-11)19(25)24-9-5-6-13(10-24)17-22-23-18(27-17)14-7-3-4-8-15(14)20/h3-4,7-8,13H,5-6,9-10H2,1-2H3
InChIKeyJIELRBFSMHTZRP-UHFFFAOYSA-N
XLogP4.44
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (CID 71780387) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCCC(c3nnc(-c4ccccc4F)s3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is JIELRBFSMHTZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS2/c1-11-16(26-12(2)21-11)19(25)24-9-5-6-13(10-24)17-22-23-18(27-17)14-7-3-4-8-15(14)20/h3-4,7-8,13H,5-6,9-10H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 402.52 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71780387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).