3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol

C17H21N5OS2 — CID 22649007

IUPAC3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nc(SCc2ccccc2)nc2nc(N)sc12
InChIInChI=1S/C17H21N5OS2/c1-17(2,10-23)9-19-13-12-14(20-15(18)25-12)22-16(21-13)24-8-11-6-4-3-5-7-11/h3-7,23H,8-10H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyASJNNDFGSDORGP-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.39
Rot. Bonds7

About 3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol

3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 22649007) has the molecular formula C17H21N5OS2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID22649007
Molecular FormulaC17H21N5OS2
Molecular Weight375.52 g/mol
Exact Mass375.12
IUPAC Name3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nc(SCc2ccccc2)nc2nc(N)sc12
InChIInChI=1S/C17H21N5OS2/c1-17(2,10-23)9-19-13-12-14(20-15(18)25-12)22-16(21-13)24-8-11-6-4-3-5-7-11/h3-7,23H,8-10H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyASJNNDFGSDORGP-UHFFFAOYSA-N
XLogP3.39
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol (CID 22649007) is 3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1nc(SCc2ccccc2)nc2nc(N)sc12.
What is the InChIKey of 3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is ASJNNDFGSDORGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS2/c1-17(2,10-23)9-19-13-12-14(20-15(18)25-12)22-16(21-13)24-8-11-6-4-3-5-7-11/h3-7,23H,8-10H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 375.52 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 22649007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).