[(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol

C17H19N5OS — CID 127044515

IUPAC[(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc1
InChIInChI=1S/C17H19N5OS/c1-11-4-6-12(7-5-11)20-17-21-14-15(18-10-19-16(14)24-17)22-8-2-3-13(22)9-23/h4-7,10,13,23H,2-3,8-9H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyGCPLTYKAGFKTDB-ZDUSSCGKSA-N
MW341.44 g/mol
LogP3.10
Rot. Bonds4

About [(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol (PubChem CID 127044515) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is [(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
PubChem CID127044515
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name[(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc1
InChIInChI=1S/C17H19N5OS/c1-11-4-6-12(7-5-11)20-17-21-14-15(18-10-19-16(14)24-17)22-8-2-3-13(22)9-23/h4-7,10,13,23H,2-3,8-9H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyGCPLTYKAGFKTDB-ZDUSSCGKSA-N
XLogP3.10
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol (CID 127044515) is [(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol is Cc1ccc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc1.
What is the InChIKey of [(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The InChIKey is GCPLTYKAGFKTDB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11-4-6-12(7-5-11)20-17-21-14-15(18-10-19-16(14)24-17)22-8-2-3-13(22)9-23/h4-7,10,13,23H,2-3,8-9H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of [(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol has a molecular weight of 341.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(4-methylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 127044515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).