N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride

C13H17ClN4O2S — CID 120575442

IUPACN-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cnc2sccn2c1=O.Cl
InChIInChI=1S/C13H16N4O2S.ClH/c1-8-10(3-2-4-14-8)16-11(18)9-7-15-13-17(12(9)19)5-6-20-13;/h5-8,10,14H,2-4H2,1H3,(H,16,18);1H
InChIKeySWYFBZMXGKFYNN-UHFFFAOYSA-N
MW328.83 g/mol
LogP1.05
Rot. Bonds2

About N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride

N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (PubChem CID 120575442) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
PubChem CID120575442
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC NameN-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cnc2sccn2c1=O.Cl
InChIInChI=1S/C13H16N4O2S.ClH/c1-8-10(3-2-4-14-8)16-11(18)9-7-15-13-17(12(9)19)5-6-20-13;/h5-8,10,14H,2-4H2,1H3,(H,16,18);1H
InChIKeySWYFBZMXGKFYNN-UHFFFAOYSA-N
XLogP1.05
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 129415450
7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120577711
N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 114549960
5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 124731181
N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86798345
6-imidazo[2,1-b][1,3]thiazol-5-yl-N-[(2R,3R)-2-methylpiperidin-3-yl]pyrazin-2-amine
CID 58303387
2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 43360368
5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 78793742
N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71689668
2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
CID 120575792
N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 156604349
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103890996

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (CID 120575442) is N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is CC1NCCCC1NC(=O)c1cnc2sccn2c1=O.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is SWYFBZMXGKFYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S.ClH/c1-8-10(3-2-4-14-8)16-11(18)9-7-15-13-17(12(9)19)5-6-20-13;/h5-8,10,14H,2-4H2,1H3,(H,16,18);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 328.83 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 120575442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).