2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine

C17H15N5O2S — CID 132991406

IUPAC2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESCOc1cccc(CNc2nc(N)c3nc(-c4ccco4)sc3n2)c1
InChIInChI=1S/C17H15N5O2S/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
InChIKeyMKZQUSYQWOCDQS-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.55
Rot. Bonds5

About 2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine

2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 132991406) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID132991406
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESCOc1cccc(CNc2nc(N)c3nc(-c4ccco4)sc3n2)c1
InChIInChI=1S/C17H15N5O2S/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
InChIKeyMKZQUSYQWOCDQS-UHFFFAOYSA-N
XLogP3.55
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 132991406) is 2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is COc1cccc(CNc2nc(N)c3nc(-c4ccco4)sc3n2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is MKZQUSYQWOCDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22).
What are the key properties of 2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 353.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 132991406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).