7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine

C20H17ClN2O2S — CID 155816095

IUPAC7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccc(Cl)cc3)N=C3SC=CN32)cc1OC
InChIInChI=1S/C20H17ClN2O2S/c1-24-18-8-5-14(11-19(18)25-2)17-12-16(13-3-6-15(21)7-4-13)22-20-23(17)9-10-26-20/h3-12,17H,1-2H3
InChIKeyRKZWIOKXCWVWOS-UHFFFAOYSA-N
MW384.89 g/mol
LogP5.33
Rot. Bonds4

About 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine

7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 155816095) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID155816095
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccc(Cl)cc3)N=C3SC=CN32)cc1OC
InChIInChI=1S/C20H17ClN2O2S/c1-24-18-8-5-14(11-19(18)25-2)17-12-16(13-3-6-15(21)7-4-13)22-20-23(17)9-10-26-20/h3-12,17H,1-2H3
InChIKeyRKZWIOKXCWVWOS-UHFFFAOYSA-N
XLogP5.33
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 155816095) is 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine is COc1ccc(C2C=C(c3ccc(Cl)cc3)N=C3SC=CN32)cc1OC.
What is the InChIKey of 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is RKZWIOKXCWVWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-24-18-8-5-14(11-19(18)25-2)17-12-16(13-3-6-15(21)7-4-13)22-20-23(17)9-10-26-20/h3-12,17H,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine?
7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 384.89 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 155816095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).