N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide

C21H15N3O3S — CID 16933495

IUPACN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H15N3O3S/c1-12-18(20(26)24-10-11-28-21(24)22-12)23-19(25)17-13-6-2-4-8-15(13)27-16-9-5-3-7-14(16)17/h2-11,17H,1H3,(H,23,25)
InChIKeyQPDXEOBSDKLSQZ-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.94
Rot. Bonds2

About N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide

N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide (PubChem CID 16933495) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide
PubChem CID16933495
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H15N3O3S/c1-12-18(20(26)24-10-11-28-21(24)22-12)23-19(25)17-13-6-2-4-8-15(13)27-16-9-5-3-7-14(16)17/h2-11,17H,1H3,(H,23,25)
InChIKeyQPDXEOBSDKLSQZ-UHFFFAOYSA-N
XLogP3.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide (CID 16933495) is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide is Cc1nc2sccn2c(=O)c1NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide?
The InChIKey is QPDXEOBSDKLSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c1-12-18(20(26)24-10-11-28-21(24)22-12)23-19(25)17-13-6-2-4-8-15(13)27-16-9-5-3-7-14(16)17/h2-11,17H,1H3,(H,23,25).
What are the key properties of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide?
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 16933495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).