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

C16H17N5OS — CID 127044855

IUPAC[(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1ncnc2sc(Nc3ccccc3)nc12
InChIInChI=1S/C16H17N5OS/c22-9-12-7-4-8-21(12)14-13-15(18-10-17-14)23-16(20-13)19-11-5-2-1-3-6-11/h1-3,5-6,10,12,22H,4,7-9H2,(H,19,20)/t12-/m0/s1
InChIKeyLCWNMXKDPVGZGX-LBPRGKRZSA-N
MW327.41 g/mol
LogP2.79
Rot. Bonds4

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

[(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol (PubChem CID 127044855) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is [(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
PubChem CID127044855
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name[(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1ncnc2sc(Nc3ccccc3)nc12
InChIInChI=1S/C16H17N5OS/c22-9-12-7-4-8-21(12)14-13-15(18-10-17-14)23-16(20-13)19-11-5-2-1-3-6-11/h1-3,5-6,10,12,22H,4,7-9H2,(H,19,20)/t12-/m0/s1
InChIKeyLCWNMXKDPVGZGX-LBPRGKRZSA-N
XLogP2.79
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol (CID 127044855) is [(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccccc3)nc12.
What is the InChIKey of [(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
The InChIKey is LCWNMXKDPVGZGX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N5OS/c22-9-12-7-4-8-21(12)14-13-15(18-10-17-14)23-16(20-13)19-11-5-2-1-3-6-11/h1-3,5-6,10,12,22H,4,7-9H2,(H,19,20)/t12-/m0/s1.
What are the key properties of [(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol has a molecular weight of 327.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 127044855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).