N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

About N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135938798) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name	N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID	135938798
Molecular Formula	C18H26N4O3S
Molecular Weight	378.50 g/mol
Exact Mass	378.17
IUPAC Name	N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILES	CC[C@@H]1CCCCN1CCCNC(=O)c1c(O)nc2scc(C)n2c1=O
InChI	InChI=1S/C18H26N4O3S/c1-3-13-7-4-5-9-21(13)10-6-8-19-15(23)14-16(24)20-18-22(17(14)25)12(2)11-26-18/h11,13,24H,3-10H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKey	NUAFOXDVASFBCD-CYBMUJFWSA-N
XLogP	2.15
TPSA	86.94 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.50
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135938798) is N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC[C@@H]1CCCCN1CCCNC(=O)c1c(O)nc2scc(C)n2c1=O.

What is the InChIKey of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is NUAFOXDVASFBCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-3-13-7-4-5-9-21(13)10-6-8-19-15(23)14-16(24)20-18-22(17(14)25)12(2)11-26-18/h11,13,24H,3-10H2,1-2H3,(H,19,23)/t13-/m1/s1.

What are the key properties of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135938798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).