7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C18H21N5O3S — CID 127044518

IUPAC7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2nc3c(N4CCCC4)ncnc3s2)cc(OC)c1OC
InChIInChI=1S/C18H21N5O3S/c1-24-12-8-11(9-13(25-2)15(12)26-3)21-18-22-14-16(23-6-4-5-7-23)19-10-20-17(14)27-18/h8-10H,4-7H2,1-3H3,(H,21,22)
InChIKeyNICBIAZGYVMWPV-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.46
Rot. Bonds6

About 7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 127044518) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID127044518
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2nc3c(N4CCCC4)ncnc3s2)cc(OC)c1OC
InChIInChI=1S/C18H21N5O3S/c1-24-12-8-11(9-13(25-2)15(12)26-3)21-18-22-14-16(23-6-4-5-7-23)19-10-20-17(14)27-18/h8-10H,4-7H2,1-3H3,(H,21,22)
InChIKeyNICBIAZGYVMWPV-UHFFFAOYSA-N
XLogP3.46
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 127044518) is 7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is COc1cc(Nc2nc3c(N4CCCC4)ncnc3s2)cc(OC)c1OC.
What is the InChIKey of 7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is NICBIAZGYVMWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-24-12-8-11(9-13(25-2)15(12)26-3)21-18-22-14-16(23-6-4-5-7-23)19-10-20-17(14)27-18/h8-10H,4-7H2,1-3H3,(H,21,22).
What are the key properties of 7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 387.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 127044518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).