N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide

C15H17N3OS — CID 19229276

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C15H17N3OS/c1-10-2-4-11(5-3-10)6-9-13(19)16-15-18-17-14(20-15)12-7-8-12/h2-5,12H,6-9H2,1H3,(H,16,18,19)
InChIKeyMVTROUXBEPVSJO-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.30
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide (PubChem CID 19229276) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
PubChem CID19229276
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C15H17N3OS/c1-10-2-4-11(5-3-10)6-9-13(19)16-15-18-17-14(20-15)12-7-8-12/h2-5,12H,6-9H2,1H3,(H,16,18,19)
InChIKeyMVTROUXBEPVSJO-UHFFFAOYSA-N
XLogP3.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide
CID 1400151
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 1402158
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229294
3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221296
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 29412251
4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 47242361
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24647572
3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221058
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 3163430
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide
CID 6214244
3-[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 91839740

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide (CID 19229276) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2nnc(C3CC3)s2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is MVTROUXBEPVSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-2-4-11(5-3-10)6-9-13(19)16-15-18-17-14(20-15)12-7-8-12/h2-5,12H,6-9H2,1H3,(H,16,18,19).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 287.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 19229276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).