N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride

C17H21ClN4O2S — CID 120885477

IUPACN-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C17H20N4O2S.ClH/c18-7-9-20(8-6-13-4-2-1-3-5-13)15(22)14-12-19-17-21(16(14)23)10-11-24-17;/h1-5,12H,6-11,18H2;1H
InChIKeyHNXKQJVKNOBIMR-UHFFFAOYSA-N
MW380.90 g/mol
LogP1.41
Rot. Bonds6

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

N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (PubChem CID 120885477) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
PubChem CID120885477
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC NameN-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C17H20N4O2S.ClH/c18-7-9-20(8-6-13-4-2-1-3-5-13)15(22)14-12-19-17-21(16(14)23)10-11-24-17;/h1-5,12H,6-11,18H2;1H
InChIKeyHNXKQJVKNOBIMR-UHFFFAOYSA-N
XLogP1.41
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42793691
N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4150639
N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18097964
N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120884645
N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42793622
5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 24515603
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120885313
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 24516198
N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride
CID 120886699
N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 120886612
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (CID 120885477) is N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is HNXKQJVKNOBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S.ClH/c18-7-9-20(8-6-13-4-2-1-3-5-13)15(22)14-12-19-17-21(16(14)23)10-11-24-17;/h1-5,12H,6-11,18H2;1H.
What are the key properties of N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 380.90 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 120885477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).