N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H25N3O2S — CID 3530930

IUPACN-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2n(c1=O)CCS2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25N3O2S/c1-11(19-7-12-4-13(8-19)6-14(5-12)9-19)21-16(23)15-10-20-18-22(17(15)24)2-3-25-18/h10-14H,2-9H2,1H3,(H,21,23)
InChIKeyYOQNMXLNXGKZJQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.68
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3530930) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3530930
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2n(c1=O)CCS2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25N3O2S/c1-11(19-7-12-4-13(8-19)6-14(5-12)9-19)21-16(23)15-10-20-18-22(17(15)24)2-3-25-18/h10-14H,2-9H2,1H3,(H,21,23)
InChIKeyYOQNMXLNXGKZJQ-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3530930) is N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(NC(=O)c1cnc2n(c1=O)CCS2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YOQNMXLNXGKZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-11(19-7-12-4-13(8-19)6-14(5-12)9-19)21-16(23)15-10-20-18-22(17(15)24)2-3-25-18/h10-14H,2-9H2,1H3,(H,21,23).
What are the key properties of N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3530930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).