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

C10H16N6OS — CID 110385621

IUPACN-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCN(C)CCNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C10H16N6OS/c1-15(2)6-5-11-8(17)3-4-9-14-16-7-12-13-10(16)18-9/h7H,3-6H2,1-2H3,(H,11,17)
InChIKeyBFVCXJMILLPJDP-UHFFFAOYSA-N
MW268.35 g/mol
LogP-0.20
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385621) has the molecular formula C10H16N6OS and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385621
Molecular FormulaC10H16N6OS
Molecular Weight268.35 g/mol
Exact Mass268.11
IUPAC NameN-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCN(C)CCNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C10H16N6OS/c1-15(2)6-5-11-8(17)3-4-9-14-16-7-12-13-10(16)18-9/h7H,3-6H2,1-2H3,(H,11,17)
InChIKeyBFVCXJMILLPJDP-UHFFFAOYSA-N
XLogP-0.20
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385621) is N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is CN(C)CCNC(=O)CCc1nn2cnnc2s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is BFVCXJMILLPJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6OS/c1-15(2)6-5-11-8(17)3-4-9-14-16-7-12-13-10(16)18-9/h7H,3-6H2,1-2H3,(H,11,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 268.35 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).