N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide

C14H17N3O2S — CID 847079

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
SMILESCOCc1nnc(NC(=O)CCCc2ccccc2)s1
InChIInChI=1S/C14H17N3O2S/c1-19-10-13-16-17-14(20-13)15-12(18)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,17,18)
InChIKeyCVBYRWWCQRUACU-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.65
Rot. Bonds7

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide (PubChem CID 847079) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
PubChem CID847079
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
SMILESCOCc1nnc(NC(=O)CCCc2ccccc2)s1
InChIInChI=1S/C14H17N3O2S/c1-19-10-13-16-17-14(20-13)15-12(18)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,17,18)
InChIKeyCVBYRWWCQRUACU-UHFFFAOYSA-N
XLogP2.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3961443
3-(4-ethoxyphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19226109
N'-hydroxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]hexanediamide
CID 56944798
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 769200
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 17320541
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3968281
4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 39182812
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
2-phenylethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787323
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-N'-hydroxyoctanediamide
CID 56944887

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide (CID 847079) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide is COCc1nnc(NC(=O)CCCc2ccccc2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide?
The InChIKey is CVBYRWWCQRUACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-19-10-13-16-17-14(20-13)15-12(18)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,17,18).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide has a molecular weight of 291.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide is sourced from PubChem (CID 847079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).