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

C14H17N3OS — CID 1444781

IUPACN-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCCC(=O)N(C)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C14H17N3OS/c1-4-6-12(18)17(3)14-16-15-13(19-14)11-8-5-7-10(2)9-11/h5,7-9H,4,6H2,1-3H3
InChIKeyVDJFVIMTXOGEFX-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.28
Rot. Bonds4

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

N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 1444781) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID1444781
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCCC(=O)N(C)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C14H17N3OS/c1-4-6-12(18)17(3)14-16-15-13(19-14)11-8-5-7-10(2)9-11/h5,7-9H,4,6H2,1-3H3
InChIKeyVDJFVIMTXOGEFX-UHFFFAOYSA-N
XLogP3.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbutanamide
CID 3230592
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451754
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbutanamide
CID 1451546
N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide
CID 3231183
5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 154810072
N-butyl-2-methoxy-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230606
N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide
CID 3471937
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1444827
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3230629
2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 942109
N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451783
3-(cyanoamino)-N-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 73332470

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 1444781) is N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide is CCCC(=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]butanamide?
The InChIKey is VDJFVIMTXOGEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-6-12(18)17(3)14-16-15-13(19-14)11-8-5-7-10(2)9-11/h5,7-9H,4,6H2,1-3H3.
What are the key properties of N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide?
N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 275.38 g/mol, XLogP of 3.28, 4 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]butanamide is sourced from PubChem (CID 1444781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).