N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide

C22H19N3O3S — CID 10158171

IUPACN,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESCc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccccc3)sc12
InChIInChI=1S/C22H19N3O3S/c1-15-20(27)24(13-17-10-6-3-7-11-17)22(28)25-14-18(29-21(15)25)19(26)23-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,23,26)
InChIKeyHKIUSPTWBXDTFJ-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.81
Rot. Bonds5

About N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide

N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (PubChem CID 10158171) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
PubChem CID10158171
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESCc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccccc3)sc12
InChIInChI=1S/C22H19N3O3S/c1-15-20(27)24(13-17-10-6-3-7-11-17)22(28)25-14-18(29-21(15)25)19(26)23-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,23,26)
InChIKeyHKIUSPTWBXDTFJ-UHFFFAOYSA-N
XLogP2.81
TPSA72.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The IUPAC name of N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (CID 10158171) is N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is Cc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccccc3)sc12.
What is the InChIKey of N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The InChIKey is HKIUSPTWBXDTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15-20(27)24(13-17-10-6-3-7-11-17)22(28)25-14-18(29-21(15)25)19(26)23-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,23,26).
What are the key properties of N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dibenzyl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 10158171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).