4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine

C14H12FN3S2 — CID 1092472

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ccc(F)cc3)n2)s1
InChIInChI=1S/C14H12FN3S2/c1-8-13(20-9(2)16-8)12-7-19-14(18-12)17-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,17,18)
InChIKeyAUHSCPWSQSCWHJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.77
Rot. Bonds3

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 1092472) has the molecular formula C14H12FN3S2 and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID1092472
Molecular FormulaC14H12FN3S2
Molecular Weight305.40 g/mol
Exact Mass305.05
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ccc(F)cc3)n2)s1
InChIInChI=1S/C14H12FN3S2/c1-8-13(20-9(2)16-8)12-7-19-14(18-12)17-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,17,18)
InChIKeyAUHSCPWSQSCWHJ-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

CID 2360905
CID 2360905
CID 676722
CID 676722
CID 972657
CID 972657
CID 9899450
CID 9899450
CID 3157522
CID 3157522
CID 971435
CID 971435
CID 1284592
CID 1284592
CID 2898103
CID 2898103
CID 1632898
CID 1632898
CID 930568
CID 930568
CID 972722
CID 972722
CID 7086354
CID 7086354

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 1092472) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine is Cc1nc(C)c(-c2csc(Nc3ccc(F)cc3)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is AUHSCPWSQSCWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S2/c1-8-13(20-9(2)16-8)12-7-19-14(18-12)17-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,17,18).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 305.40 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1092472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).