5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine

C17H10ClF4N5OS — CID 172584718

IUPAC5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)nc3scnc23)cc1F
InChIInChI=1S/C17H10ClF4N5OS/c1-27-5-11(17(20,21)22)24-13(27)9-3-2-8(4-10(9)19)6-28-14-12-15(29-7-23-12)26-16(18)25-14/h2-5,7H,6H2,1H3
InChIKeyMFQDTXCMHVFGCU-UHFFFAOYSA-N
MW443.81 g/mol
LogP4.88
Rot. Bonds4

About 5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine

5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 172584718) has the molecular formula C17H10ClF4N5OS and a molecular weight of 443.81 g/mol. Its IUPAC name is 5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID172584718
Molecular FormulaC17H10ClF4N5OS
Molecular Weight443.81 g/mol
Exact Mass443.02
IUPAC Name5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)nc3scnc23)cc1F
InChIInChI=1S/C17H10ClF4N5OS/c1-27-5-11(17(20,21)22)24-13(27)9-3-2-8(4-10(9)19)6-28-14-12-15(29-7-23-12)26-16(18)25-14/h2-5,7H,6H2,1H3
InChIKeyMFQDTXCMHVFGCU-UHFFFAOYSA-N
XLogP4.88
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.81
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine (CID 172584718) is 5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine is Cn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)nc3scnc23)cc1F.
What is the InChIKey of 5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is MFQDTXCMHVFGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF4N5OS/c1-27-5-11(17(20,21)22)24-13(27)9-3-2-8(4-10(9)19)6-28-14-12-15(29-7-23-12)26-16(18)25-14/h2-5,7H,6H2,1H3.
What are the key properties of 5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine?
5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 443.81 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 172584718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).