4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole

C19H13ClF3N5OS — CID 172586515

IUPAC4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)ncc2-c2cnsc2)cc1
InChIInChI=1S/C19H13ClF3N5OS/c1-28-8-15(19(21,22)23)26-16(28)12-4-2-11(3-5-12)9-29-17-14(7-24-18(20)27-17)13-6-25-30-10-13/h2-8,10H,9H2,1H3
InChIKeyOWFNJVXZDJWWGW-UHFFFAOYSA-N
MW451.86 g/mol
LogP5.25
Rot. Bonds5

About 4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole

4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole (PubChem CID 172586515) has the molecular formula C19H13ClF3N5OS and a molecular weight of 451.86 g/mol. Its IUPAC name is 4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole.

Molecular Properties

Compound Name4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole
PubChem CID172586515
Molecular FormulaC19H13ClF3N5OS
Molecular Weight451.86 g/mol
Exact Mass451.05
IUPAC Name4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)ncc2-c2cnsc2)cc1
InChIInChI=1S/C19H13ClF3N5OS/c1-28-8-15(19(21,22)23)26-16(28)12-4-2-11(3-5-12)9-29-17-14(7-24-18(20)27-17)13-6-25-30-10-13/h2-8,10H,9H2,1H3
InChIKeyOWFNJVXZDJWWGW-UHFFFAOYSA-N
XLogP5.25
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.86
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole 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 4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole?
The IUPAC name of 4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole (CID 172586515) is 4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole.
What is the SMILES notation for 4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole?
The canonical SMILES for 4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole is Cn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)ncc2-c2cnsc2)cc1.
What is the InChIKey of 4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole?
The InChIKey is OWFNJVXZDJWWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5OS/c1-28-8-15(19(21,22)23)26-16(28)12-4-2-11(3-5-12)9-29-17-14(7-24-18(20)27-17)13-6-25-30-10-13/h2-8,10H,9H2,1H3.
What are the key properties of 4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole?
4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole has a molecular weight of 451.86 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole is sourced from PubChem (CID 172586515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).