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

C18H17N5O2S — CID 134132667

IUPAC2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESCOc1cccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)c1
InChIInChI=1S/C18H17N5O2S/c1-24-12-5-2-4-11(10-12)7-8-20-18-22-15(19)14-17(23-18)26-16(21-14)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H3,19,20,22,23)
InChIKeyMTOYSMRCARGHKF-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.59
Rot. Bonds6

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

2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 134132667) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID134132667
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESCOc1cccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)c1
InChIInChI=1S/C18H17N5O2S/c1-24-12-5-2-4-11(10-12)7-8-20-18-22-15(19)14-17(23-18)26-16(21-14)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H3,19,20,22,23)
InChIKeyMTOYSMRCARGHKF-UHFFFAOYSA-N
XLogP3.59
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(Furan-2-yl)-N5-(2-methoxybenzyl)thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 132991405
2-(2-Furanyl)-n5-(3-methoxybenzyl)[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 132991406
5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 134142435
2-(furan-2-yl)-5-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436760
2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436763
2-(furan-2-yl)-5-N-(thiophen-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436764
2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436765
2-(furan-2-yl)-5-N-(pyridin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436766
2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436767
2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436769
3-[2-[[7-Amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]ethyl]phenol
CID 134142611
[3-[7-Amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol
CID 155546100

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 134132667) is 2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is COc1cccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is MTOYSMRCARGHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-24-12-5-2-4-11(10-12)7-8-20-18-22-15(19)14-17(23-18)26-16(21-14)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H3,19,20,22,23).
What are the key properties of 2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
2-(furan-2-yl)-5-N-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 367.43 g/mol, XLogP of 3.59, 6 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-[2-(3-methoxyphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 134132667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).