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

C18H24N4O3S — CID 51255330

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C18H24N4O3S/c23-15(14-12-19-17-22(16(14)24)8-11-26-17)20-13-18(4-2-1-3-5-18)21-6-9-25-10-7-21/h8,11-12H,1-7,9-10,13H2,(H,20,23)
InChIKeyRLRZDCNSHSHSPO-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.52
Rot. Bonds4

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

N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51255330) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51255330
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C18H24N4O3S/c23-15(14-12-19-17-22(16(14)24)8-11-26-17)20-13-18(4-2-1-3-5-18)21-6-9-25-10-7-21/h8,11-12H,1-7,9-10,13H2,(H,20,23)
InChIKeyRLRZDCNSHSHSPO-UHFFFAOYSA-N
XLogP1.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51255330) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1cnc2sccn2c1=O.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is RLRZDCNSHSHSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c23-15(14-12-19-17-22(16(14)24)8-11-26-17)20-13-18(4-2-1-3-5-18)21-6-9-25-10-7-21/h8,11-12H,1-7,9-10,13H2,(H,20,23).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51255330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).