N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H18N4O2S — CID 129415450

IUPACN-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESNC[C@H]1CCCC[C@@H]1NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C14H18N4O2S/c15-7-9-3-1-2-4-11(9)17-12(19)10-8-16-14-18(13(10)20)5-6-21-14/h5-6,8-9,11H,1-4,7,15H2,(H,17,19)/t9-,11+/m1/s1
InChIKeyOSEFVVWWIXJBDF-KOLCDFICSA-N
MW306.39 g/mol
LogP1.00
Rot. Bonds3

About N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 129415450) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID129415450
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESNC[C@H]1CCCC[C@@H]1NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C14H18N4O2S/c15-7-9-3-1-2-4-11(9)17-12(19)10-8-16-14-18(13(10)20)5-6-21-14/h5-6,8-9,11H,1-4,7,15H2,(H,17,19)/t9-,11+/m1/s1
InChIKeyOSEFVVWWIXJBDF-KOLCDFICSA-N
XLogP1.00
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 120575442
N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119609339
N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86798345
N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 114549960
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-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 66005182
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-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119600722
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119609453
6-(2-ethylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51254590
N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743
(3R)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 81127589

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 129415450) is N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is NC[C@H]1CCCC[C@@H]1NC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OSEFVVWWIXJBDF-KOLCDFICSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-7-9-3-1-2-4-11(9)17-12(19)10-8-16-14-18(13(10)20)5-6-21-14/h5-6,8-9,11H,1-4,7,15H2,(H,17,19)/t9-,11+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 129415450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).