5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C7H8N6O2S — CID 80617029

IUPAC5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1noc(CNC(=O)c2nnc(N)s2)n1
InChIInChI=1S/C7H8N6O2S/c1-3-10-4(15-13-3)2-9-5(14)6-11-12-7(8)16-6/h2H2,1H3,(H2,8,12)(H,9,14)
InChIKeyMSJAJHAJCOXKOK-UHFFFAOYSA-N
MW240.25 g/mol
LogP-0.26
Rot. Bonds3

About 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617029) has the molecular formula C7H8N6O2S and a molecular weight of 240.25 g/mol. Its IUPAC name is 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617029
Molecular FormulaC7H8N6O2S
Molecular Weight240.25 g/mol
Exact Mass240.04
IUPAC Name5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1noc(CNC(=O)c2nnc(N)s2)n1
InChIInChI=1S/C7H8N6O2S/c1-3-10-4(15-13-3)2-9-5(14)6-11-12-7(8)16-6/h2H2,1H3,(H2,8,12)(H,9,14)
InChIKeyMSJAJHAJCOXKOK-UHFFFAOYSA-N
XLogP-0.26
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55120126
4-amino-3,5-dichloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 82832642
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 55052629
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 81316418
5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615780
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 65302481
3-(N'-hydroxycarbamimidoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 76927062
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 62358635
3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103506882
5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615369
2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 113331710

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617029) is 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is Cc1noc(CNC(=O)c2nnc(N)s2)n1.
What is the InChIKey of 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MSJAJHAJCOXKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2S/c1-3-10-4(15-13-3)2-9-5(14)6-11-12-7(8)16-6/h2H2,1H3,(H2,8,12)(H,9,14).
What are the key properties of 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 240.25 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).