7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C17H18N6O2S — CID 99802775

IUPAC7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N[C@H](C)c3nc4ccc(OC)cc4[nH]3)sc2n1
InChIInChI=1S/C17H18N6O2S/c1-4-10-7-14(24)23-17(19-10)26-16(22-23)18-9(2)15-20-12-6-5-11(25-3)8-13(12)21-15/h5-9H,4H2,1-3H3,(H,18,22)(H,20,21)/t9-/m1/s1
InChIKeyHPAXOQGXCWWENZ-SECBINFHSA-N
MW370.44 g/mol
LogP2.77
Rot. Bonds5

About 7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 99802775) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID99802775
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N[C@H](C)c3nc4ccc(OC)cc4[nH]3)sc2n1
InChIInChI=1S/C17H18N6O2S/c1-4-10-7-14(24)23-17(19-10)26-16(22-23)18-9(2)15-20-12-6-5-11(25-3)8-13(12)21-15/h5-9H,4H2,1-3H3,(H,18,22)(H,20,21)/t9-/m1/s1
InChIKeyHPAXOQGXCWWENZ-SECBINFHSA-N
XLogP2.77
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

2-[bis(3-methoxyphenyl)methylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133356947
ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate
CID 119037523
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 41023729
3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide
CID 100613262
3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide
CID 100674244
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxyaniline
CID 53411479
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
3-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]propanoic acid
CID 82336086
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate
CID 42632051
7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133490844

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 99802775) is 7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(N[C@H](C)c3nc4ccc(OC)cc4[nH]3)sc2n1.
What is the InChIKey of 7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HPAXOQGXCWWENZ-SECBINFHSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-4-10-7-14(24)23-17(19-10)26-16(22-23)18-9(2)15-20-12-6-5-11(25-3)8-13(12)21-15/h5-9H,4H2,1-3H3,(H,18,22)(H,20,21)/t9-/m1/s1.
What are the key properties of 7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 370.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 99802775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).