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

C14H18N4O3S — CID 71709448

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCCN3CCOCC3)cnc2s1
InChIInChI=1S/C14H18N4O3S/c1-10-9-18-13(20)11(8-16-14(18)22-10)12(19)15-2-3-17-4-6-21-7-5-17/h8-9H,2-7H2,1H3,(H,15,19)
InChIKeyGYLHXCZOITUYPH-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.13
Rot. Bonds4

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

2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 71709448) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID71709448
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCCN3CCOCC3)cnc2s1
InChIInChI=1S/C14H18N4O3S/c1-10-9-18-13(20)11(8-16-14(18)22-10)12(19)15-2-3-17-4-6-21-7-5-17/h8-9H,2-7H2,1H3,(H,15,19)
InChIKeyGYLHXCZOITUYPH-UHFFFAOYSA-N
XLogP0.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 71709448) is 2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)NCCN3CCOCC3)cnc2s1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GYLHXCZOITUYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10-9-18-13(20)11(8-16-14(18)22-10)12(19)15-2-3-17-4-6-21-7-5-17/h8-9H,2-7H2,1H3,(H,15,19).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71709448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).