7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H17N3OS — CID 134062848

IUPAC7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CNc3ccc4c(c3)Cc3ccccc3-4)cc(=O)n12
InChIInChI=1S/C21H17N3OS/c1-13-12-26-21-23-17(10-20(25)24(13)21)11-22-16-6-7-19-15(9-16)8-14-4-2-3-5-18(14)19/h2-7,9-10,12,22H,8,11H2,1H3
InChIKeyMSAJPBNAJPWKTA-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.25
Rot. Bonds3

About 7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 134062848) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID134062848
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CNc3ccc4c(c3)Cc3ccccc3-4)cc(=O)n12
InChIInChI=1S/C21H17N3OS/c1-13-12-26-21-23-17(10-20(25)24(13)21)11-22-16-6-7-19-15(9-16)8-14-4-2-3-5-18(14)19/h2-7,9-10,12,22H,8,11H2,1H3
InChIKeyMSAJPBNAJPWKTA-UHFFFAOYSA-N
XLogP4.25
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 134062848) is 7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CNc3ccc4c(c3)Cc3ccccc3-4)cc(=O)n12.
What is the InChIKey of 7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MSAJPBNAJPWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-13-12-26-21-23-17(10-20(25)24(13)21)11-22-16-6-7-19-15(9-16)8-14-4-2-3-5-18(14)19/h2-7,9-10,12,22H,8,11H2,1H3.
What are the key properties of 7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 359.45 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 134062848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).