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

C16H21N3OS — CID 1444715

IUPACN-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCN(C(=O)CC(C)C)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C16H21N3OS/c1-5-19(14(20)10-11(2)3)16-18-17-15(21-16)13-9-7-6-8-12(13)4/h6-9,11H,5,10H2,1-4H3
InChIKeyODOSGFLFMWVRKZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.91
Rot. Bonds5

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

N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 1444715) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID1444715
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCN(C(=O)CC(C)C)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C16H21N3OS/c1-5-19(14(20)10-11(2)3)16-18-17-15(21-16)13-9-7-6-8-12(13)4/h6-9,11H,5,10H2,1-4H3
InChIKeyODOSGFLFMWVRKZ-UHFFFAOYSA-N
XLogP3.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444816
1-[5-(4-Methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 46907692
N-(2-Methoxy-ethyl)-N-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 652198
2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
CID 1444802
N-butyl-2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230555
N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3230576
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 70685212
N-Cyclopentyl-N-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444777
2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 1451473
Cyclopropanecarboxylic acid (2-methoxy-ethyl)-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-amide
CID 653963
2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
CID 1444730
N-(2-Methoxy-ethyl)-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 3212634

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 1444715) is N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide is CCN(C(=O)CC(C)C)c1nnc(-c2ccccc2C)s1.
What is the InChIKey of N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is ODOSGFLFMWVRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-5-19(14(20)10-11(2)3)16-18-17-15(21-16)13-9-7-6-8-12(13)4/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide?
N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 303.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 1444715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).