6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C16H15N7OS — CID 42415438

IUPAC6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1nc(CNc2nc3nonc3nc2NCc2ccccc2)cs1
InChIInChI=1S/C16H15N7OS/c1-10-19-12(9-25-10)8-18-14-13(17-7-11-5-3-2-4-6-11)20-15-16(21-14)23-24-22-15/h2-6,9H,7-8H2,1H3,(H,17,20,22)(H,18,21,23)
InChIKeyKZTNIBMKOGNNFO-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.00
Rot. Bonds6

About 6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 42415438) has the molecular formula C16H15N7OS and a molecular weight of 353.41 g/mol. Its IUPAC name is 6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID42415438
Molecular FormulaC16H15N7OS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1nc(CNc2nc3nonc3nc2NCc2ccccc2)cs1
InChIInChI=1S/C16H15N7OS/c1-10-19-12(9-25-10)8-18-14-13(17-7-11-5-3-2-4-6-11)20-15-16(21-14)23-24-22-15/h2-6,9H,7-8H2,1H3,(H,17,20,22)(H,18,21,23)
InChIKeyKZTNIBMKOGNNFO-UHFFFAOYSA-N
XLogP3.00
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

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Related Compounds

2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780978
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28878584
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyridin-2-ylphenyl)methanamine
CID 131899021
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 130678172
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 42291091
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115868240
2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
CID 61285001
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide
CID 47319374

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 42415438) is 6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1nc(CNc2nc3nonc3nc2NCc2ccccc2)cs1.
What is the InChIKey of 6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is KZTNIBMKOGNNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS/c1-10-19-12(9-25-10)8-18-14-13(17-7-11-5-3-2-4-6-11)20-15-16(21-14)23-24-22-15/h2-6,9H,7-8H2,1H3,(H,17,20,22)(H,18,21,23).
What are the key properties of 6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 353.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 42415438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).