N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride

C13H19ClN4O2S — CID 119588050

IUPACN-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cnc2sccn2c1=O.Cl
InChIInChI=1S/C13H18N4O2S.ClH/c1-8(2)5-9(6-14)16-11(18)10-7-15-13-17(12(10)19)3-4-20-13;/h3-4,7-9H,5-6,14H2,1-2H3,(H,16,18);1H
InChIKeyNUSRDVDLDHXMMI-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.28
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (PubChem CID 119588050) has the molecular formula C13H19ClN4O2S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
PubChem CID119588050
Molecular FormulaC13H19ClN4O2S
Molecular Weight330.84 g/mol
Exact Mass330.09
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cnc2sccn2c1=O.Cl
InChIInChI=1S/C13H18N4O2S.ClH/c1-8(2)5-9(6-14)16-11(18)10-7-15-13-17(12(10)19)3-4-20-13;/h3-4,7-9H,5-6,14H2,1-2H3,(H,16,18);1H
InChIKeyNUSRDVDLDHXMMI-UHFFFAOYSA-N
XLogP1.28
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 78975761
N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43417879
N-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 119588561
5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3300667
(2R)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 107563516
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 166246851
N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51179672
N-[1-(4-ethylphenyl)-2-methylpropyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46513264
3-methyl-2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65220305
(2S)-4-methylsulfanyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 61152698
(2R)-4-methylsulfanyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 104906481
N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47163274

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (CID 119588050) is N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cnc2sccn2c1=O.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is NUSRDVDLDHXMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S.ClH/c1-8(2)5-9(6-14)16-11(18)10-7-15-13-17(12(10)19)3-4-20-13;/h3-4,7-9H,5-6,14H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 330.84 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 119588050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).