5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C18H14N4OS — CID 155531548

IUPAC5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cccc(-c2nc(N)c3nc(-c4ccccc4)sc3n2)c1
InChIInChI=1S/C18H14N4OS/c1-23-13-9-5-8-12(10-13)16-21-15(19)14-18(22-16)24-17(20-14)11-6-3-2-4-7-11/h2-10H,1H3,(H2,19,21,22)
InChIKeySGGUOPWXHFAGDQ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.01
Rot. Bonds3

About 5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 155531548) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID155531548
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cccc(-c2nc(N)c3nc(-c4ccccc4)sc3n2)c1
InChIInChI=1S/C18H14N4OS/c1-23-13-9-5-8-12(10-13)16-21-15(19)14-18(22-16)24-17(20-14)11-6-3-2-4-7-11/h2-10H,1H3,(H2,19,21,22)
InChIKeySGGUOPWXHFAGDQ-UHFFFAOYSA-N
XLogP4.01
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 155531548) is 5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is COc1cccc(-c2nc(N)c3nc(-c4ccccc4)sc3n2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is SGGUOPWXHFAGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-23-13-9-5-8-12(10-13)16-21-15(19)14-18(22-16)24-17(20-14)11-6-3-2-4-7-11/h2-10H,1H3,(H2,19,21,22).
What are the key properties of 5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 334.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 155531548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).