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

C13H21ClN4O2S — CID 119588561

IUPACN-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cnc2n(c1=O)CCS2.Cl
InChIInChI=1S/C13H20N4O2S.ClH/c1-8(2)5-9(6-14)16-11(18)10-7-15-13-17(12(10)19)3-4-20-13;/h7-9H,3-6,14H2,1-2H3,(H,16,18);1H
InChIKeyCMQJUABVQLMKRP-UHFFFAOYSA-N
MW332.86 g/mol
LogP0.87
Rot. Bonds5

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

N-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (PubChem CID 119588561) has the molecular formula C13H21ClN4O2S and a molecular weight of 332.86 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
PubChem CID119588561
Molecular FormulaC13H21ClN4O2S
Molecular Weight332.86 g/mol
Exact Mass332.11
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cnc2n(c1=O)CCS2.Cl
InChIInChI=1S/C13H20N4O2S.ClH/c1-8(2)5-9(6-14)16-11(18)10-7-15-13-17(12(10)19)3-4-20-13;/h7-9H,3-6,14H2,1-2H3,(H,16,18);1H
InChIKeyCMQJUABVQLMKRP-UHFFFAOYSA-N
XLogP0.87
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (CID 119588561) is N-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[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-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cnc2n(c1=O)CCS2.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is CMQJUABVQLMKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S.ClH/c1-8(2)5-9(6-14)16-11(18)10-7-15-13-17(12(10)19)3-4-20-13;/h7-9H,3-6,14H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 332.86 g/mol, XLogP of 0.87, 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-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 119588561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).