N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

C13H15N3OS — CID 1444784

IUPACN-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(C)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C13H15N3OS/c1-4-11(17)16(3)13-15-14-12(18-13)10-7-5-6-9(2)8-10/h5-8H,4H2,1-3H3
InChIKeyXTAVUJLRKDELMU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.89
Rot. Bonds3

About N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 1444784) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID1444784
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(C)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C13H15N3OS/c1-4-11(17)16(3)13-15-14-12(18-13)10-7-5-6-9(2)8-10/h5-8H,4H2,1-3H3
InChIKeyXTAVUJLRKDELMU-UHFFFAOYSA-N
XLogP2.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 1444784) is N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)N(C)c1nnc(-c2cccc(C)c2)s1.
What is the InChIKey of N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is XTAVUJLRKDELMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-4-11(17)16(3)13-15-14-12(18-13)10-7-5-6-9(2)8-10/h5-8H,4H2,1-3H3.
What are the key properties of N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 261.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 1444784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).