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

C14H15N5OS — CID 653846

IUPACN-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C
InChIInChI=1S/C14H15N5OS/c1-4-12(20)15-11-6-5-10(7-8(11)2)13-18-19-9(3)16-17-14(19)21-13/h5-7H,4H2,1-3H3,(H,15,20)
InChIKeyQUCMWWQYDCDCDX-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.82
Rot. Bonds3

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

N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide (PubChem CID 653846) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
PubChem CID653846
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C
InChIInChI=1S/C14H15N5OS/c1-4-12(20)15-11-6-5-10(7-8(11)2)13-18-19-9(3)16-17-14(19)21-13/h5-7H,4H2,1-3H3,(H,15,20)
InChIKeyQUCMWWQYDCDCDX-UHFFFAOYSA-N
XLogP2.82
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide?
The IUPAC name of N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide (CID 653846) is N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide?
The canonical SMILES for N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C.
What is the InChIKey of N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide?
The InChIKey is QUCMWWQYDCDCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-4-12(20)15-11-6-5-10(7-8(11)2)13-18-19-9(3)16-17-14(19)21-13/h5-7H,4H2,1-3H3,(H,15,20).
What are the key properties of N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide?
N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide has a molecular weight of 301.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide is sourced from PubChem (CID 653846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).