1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol

C19H18N4OS — CID 155340489

IUPAC1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol
SMILESCc1ccc(C#CC2(O)CCCC2)cc1-c1nc2c(N)ncnc2s1
InChIInChI=1S/C19H18N4OS/c1-12-4-5-13(6-9-19(24)7-2-3-8-19)10-14(12)17-23-15-16(20)21-11-22-18(15)25-17/h4-5,10-11,24H,2-3,7-8H2,1H3,(H2,20,21,22)
InChIKeyDPYYSWMWMJFBRA-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.30
Rot. Bonds1

About 1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol

1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol (PubChem CID 155340489) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol
PubChem CID155340489
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol
SMILESCc1ccc(C#CC2(O)CCCC2)cc1-c1nc2c(N)ncnc2s1
InChIInChI=1S/C19H18N4OS/c1-12-4-5-13(6-9-19(24)7-2-3-8-19)10-14(12)17-23-15-16(20)21-11-22-18(15)25-17/h4-5,10-11,24H,2-3,7-8H2,1H3,(H2,20,21,22)
InChIKeyDPYYSWMWMJFBRA-UHFFFAOYSA-N
XLogP3.30
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol (CID 155340489) is 1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol is Cc1ccc(C#CC2(O)CCCC2)cc1-c1nc2c(N)ncnc2s1.
What is the InChIKey of 1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol?
The InChIKey is DPYYSWMWMJFBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-12-4-5-13(6-9-19(24)7-2-3-8-19)10-14(12)17-23-15-16(20)21-11-22-18(15)25-17/h4-5,10-11,24H,2-3,7-8H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol?
1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol has a molecular weight of 350.45 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-methylphenyl]ethynyl]cyclopentan-1-ol is sourced from PubChem (CID 155340489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).