N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide

C11H13N3OS2 — CID 166310822

IUPACN-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide
SMILESCc1ccc(C(C)C(=O)Nc2nsc(C)n2)s1
InChIInChI=1S/C11H13N3OS2/c1-6-4-5-9(16-6)7(2)10(15)13-11-12-8(3)17-14-11/h4-5,7H,1-3H3,(H,13,14,15)
InChIKeyDPRLWPGHXFOPIF-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.96
Rot. Bonds3

About N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide

N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide (PubChem CID 166310822) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide
PubChem CID166310822
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide
SMILESCc1ccc(C(C)C(=O)Nc2nsc(C)n2)s1
InChIInChI=1S/C11H13N3OS2/c1-6-4-5-9(16-6)7(2)10(15)13-11-12-8(3)17-14-11/h4-5,7H,1-3H3,(H,13,14,15)
InChIKeyDPRLWPGHXFOPIF-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide?
The IUPAC name of N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide (CID 166310822) is N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide is Cc1ccc(C(C)C(=O)Nc2nsc(C)n2)s1.
What is the InChIKey of N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide?
The InChIKey is DPRLWPGHXFOPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-6-4-5-9(16-6)7(2)10(15)13-11-12-8(3)17-14-11/h4-5,7H,1-3H3,(H,13,14,15).
What are the key properties of N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide?
N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide has a molecular weight of 267.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 166310822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).