(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol

C24H26N6O3S — CID 58571096

IUPAC(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
SMILESCc1nc(N(C)c2ccccc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1
InChIInChI=1S/C24H26N6O3S/c1-13-19(23-28-17-11-25-9-8-18(17)34-23)22(27-16-10-14(12-31)20(32)21(16)33)29-24(26-13)30(2)15-6-4-3-5-7-15/h3-9,11,14,16,20-21,31-33H,10,12H2,1-2H3,(H,26,27,29)/t14-,16-,20-,21+/m1/s1
InChIKeyRTSYZJMBNOTESZ-XQJRBRMLSA-N
MW478.58 g/mol
LogP2.74
Rot. Bonds6

About (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol

(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol (PubChem CID 58571096) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
PubChem CID58571096
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
SMILESCc1nc(N(C)c2ccccc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1
InChIInChI=1S/C24H26N6O3S/c1-13-19(23-28-17-11-25-9-8-18(17)34-23)22(27-16-10-14(12-31)20(32)21(16)33)29-24(26-13)30(2)15-6-4-3-5-7-15/h3-9,11,14,16,20-21,31-33H,10,12H2,1-2H3,(H,26,27,29)/t14-,16-,20-,21+/m1/s1
InChIKeyRTSYZJMBNOTESZ-XQJRBRMLSA-N
XLogP2.74
TPSA127.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol (CID 58571096) is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol is Cc1nc(N(C)c2ccccc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1.
What is the InChIKey of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol?
The InChIKey is RTSYZJMBNOTESZ-XQJRBRMLSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-13-19(23-28-17-11-25-9-8-18(17)34-23)22(27-16-10-14(12-31)20(32)21(16)33)29-24(26-13)30(2)15-6-4-3-5-7-15/h3-9,11,14,16,20-21,31-33H,10,12H2,1-2H3,(H,26,27,29)/t14-,16-,20-,21+/m1/s1.
What are the key properties of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol?
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol has a molecular weight of 478.58 g/mol, XLogP of 2.74, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol is sourced from PubChem (CID 58571096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).