3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C20H22N4O4S — CID 46969787

IUPAC3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3cccc(OCCN4CCOCC4)c3)c(=O)n12
InChIInChI=1S/C20H22N4O4S/c1-14-13-29-20-21-12-17(19(26)24(14)20)18(25)22-15-3-2-4-16(11-15)28-10-7-23-5-8-27-9-6-23/h2-4,11-13H,5-10H2,1H3,(H,22,25)
InChIKeySFEXJFLRDWXKFC-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.03
Rot. Bonds6

About 3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46969787) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46969787
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3cccc(OCCN4CCOCC4)c3)c(=O)n12
InChIInChI=1S/C20H22N4O4S/c1-14-13-29-20-21-12-17(19(26)24(14)20)18(25)22-15-3-2-4-16(11-15)28-10-7-23-5-8-27-9-6-23/h2-4,11-13H,5-10H2,1H3,(H,22,25)
InChIKeySFEXJFLRDWXKFC-UHFFFAOYSA-N
XLogP2.03
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(2-morpholin-4-ylethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 95851842
N-(3-methoxyphenyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3341720
N-(4-carbamoylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3586698
ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 4134616
7-(4-methylphenyl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide
CID 143836364
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
3-ethoxy-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]benzamide
CID 84559063
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46970957
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
2,4-dimethyl-N-[3-(2-piperidin-1-ylethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 75375647
5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104239
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46969787) is 3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)Nc3cccc(OCCN4CCOCC4)c3)c(=O)n12.
What is the InChIKey of 3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SFEXJFLRDWXKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14-13-29-20-21-12-17(19(26)24(14)20)18(25)22-15-3-2-4-16(11-15)28-10-7-23-5-8-27-9-6-23/h2-4,11-13H,5-10H2,1H3,(H,22,25).
What are the key properties of 3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46969787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).