9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate

C20H13ClN4O2S — CID 162512109

IUPAC9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC1c2ccccc2-c2ccccc21)c1nc2cnc(Cl)nc2s1
InChIInChI=1S/C20H13ClN4O2S/c1-25(19-23-15-10-22-18(21)24-17(15)28-19)20(26)27-16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-10,16H,1H3
InChIKeyROANZHUMJVCNEH-UHFFFAOYSA-N
MW408.87 g/mol
LogP5.08
Rot. Bonds2

About 9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate

9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate (PubChem CID 162512109) has the molecular formula C20H13ClN4O2S and a molecular weight of 408.87 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate
PubChem CID162512109
Molecular FormulaC20H13ClN4O2S
Molecular Weight408.87 g/mol
Exact Mass408.04
IUPAC Name9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC1c2ccccc2-c2ccccc21)c1nc2cnc(Cl)nc2s1
InChIInChI=1S/C20H13ClN4O2S/c1-25(19-23-15-10-22-18(21)24-17(15)28-19)20(26)27-16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-10,16H,1H3
InChIKeyROANZHUMJVCNEH-UHFFFAOYSA-N
XLogP5.08
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.87
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate?
The IUPAC name of 9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate (CID 162512109) is 9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate.
What is the SMILES notation for 9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate?
The canonical SMILES for 9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate is CN(C(=O)OC1c2ccccc2-c2ccccc21)c1nc2cnc(Cl)nc2s1.
What is the InChIKey of 9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate?
The InChIKey is ROANZHUMJVCNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O2S/c1-25(19-23-15-10-22-18(21)24-17(15)28-19)20(26)27-16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-10,16H,1H3.
What are the key properties of 9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate?
9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate has a molecular weight of 408.87 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate is sourced from PubChem (CID 162512109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).