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

C12H19N5O2S — CID 110385984

IUPACN-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCOCCNC(=O)CCc1nn2c(C(C)C)nnc2s1
InChIInChI=1S/C12H19N5O2S/c1-8(2)11-14-15-12-17(11)16-10(20-12)5-4-9(18)13-6-7-19-3/h8H,4-7H2,1-3H3,(H,13,18)
InChIKeyPVBYSFQBXDPXCS-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.00
Rot. Bonds7

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

N-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385984) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385984
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCOCCNC(=O)CCc1nn2c(C(C)C)nnc2s1
InChIInChI=1S/C12H19N5O2S/c1-8(2)11-14-15-12-17(11)16-10(20-12)5-4-9(18)13-6-7-19-3/h8H,4-7H2,1-3H3,(H,13,18)
InChIKeyPVBYSFQBXDPXCS-UHFFFAOYSA-N
XLogP1.00
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110386041
N-pentyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110386042
N-[2-(4-fluorophenyl)ethyl]-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110386016
N-(3-methoxypropyl)-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385533
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-one
CID 110386028
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110427112
4-methyl-3-[2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pentan-1-amine
CID 114354548
N-[(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopropanamine
CID 82476752
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 110678797
4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354523
N-[2-(4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385184
5-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354580

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385984) is N-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is COCCNC(=O)CCc1nn2c(C(C)C)nnc2s1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is PVBYSFQBXDPXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-8(2)11-14-15-12-17(11)16-10(20-12)5-4-9(18)13-6-7-19-3/h8H,4-7H2,1-3H3,(H,13,18).
What are the key properties of N-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 297.38 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).