4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide

C14H15N5O2S — CID 22517739

IUPAC4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nn3c(C(C)C)nnc3s2)cc1
InChIInChI=1S/C14H15N5O2S/c1-8(2)11-16-17-14-19(11)18-13(22-14)15-12(20)9-4-6-10(21-3)7-5-9/h4-8H,1-3H3,(H,15,18,20)
InChIKeyMSRJHJROWPXZCO-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.57
Rot. Bonds4

About 4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide

4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide (PubChem CID 22517739) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
PubChem CID22517739
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nn3c(C(C)C)nnc3s2)cc1
InChIInChI=1S/C14H15N5O2S/c1-8(2)11-16-17-14-19(11)18-13(22-14)15-12(20)9-4-6-10(21-3)7-5-9/h4-8H,1-3H3,(H,15,18,20)
InChIKeyMSRJHJROWPXZCO-UHFFFAOYSA-N
XLogP2.57
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517740
3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517718
N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 82342528
N-[5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 163363704
4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
CID 22517810
3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
CID 22517762
N-(2-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385269
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938400
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(trifluoromethyl)benzamide
CID 53095833
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 82342440

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
The IUPAC name of 4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide (CID 22517739) is 4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide is COc1ccc(C(=O)Nc2nn3c(C(C)C)nnc3s2)cc1.
What is the InChIKey of 4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
The InChIKey is MSRJHJROWPXZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-8(2)11-16-17-14-19(11)18-13(22-14)15-12(20)9-4-6-10(21-3)7-5-9/h4-8H,1-3H3,(H,15,18,20).
What are the key properties of 4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide has a molecular weight of 317.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide is sourced from PubChem (CID 22517739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).