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

C8H13N3OS — CID 110870149

IUPACN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide
SMILESCCCC(=O)NCc1nnc(C)s1
InChIInChI=1S/C8H13N3OS/c1-3-4-7(12)9-5-8-11-10-6(2)13-8/h3-5H2,1-2H3,(H,9,12)
InChIKeyIXEUFQUAWJPJET-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.26
Rot. Bonds4

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

N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide (PubChem CID 110870149) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide
PubChem CID110870149
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide
SMILESCCCC(=O)NCc1nnc(C)s1
InChIInChI=1S/C8H13N3OS/c1-3-4-7(12)9-5-8-11-10-6(2)13-8/h3-5H2,1-2H3,(H,9,12)
InChIKeyIXEUFQUAWJPJET-UHFFFAOYSA-N
XLogP1.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110870197
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide
CID 130879609
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838331
N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]butanamide
CID 110401028
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70744303
N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide
CID 21156996
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
CID 110870205
(5-methyl-1,3,4-thiadiazol-2-yl)methyl hexanoate
CID 75441879
methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 110870268
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874593
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
N-(3-chlorophenyl)-5-[(pentanoylamino)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099864

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide?
The IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide (CID 110870149) is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide?
The canonical SMILES for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide is CCCC(=O)NCc1nnc(C)s1.
What is the InChIKey of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide?
The InChIKey is IXEUFQUAWJPJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-3-4-7(12)9-5-8-11-10-6(2)13-8/h3-5H2,1-2H3,(H,9,12).
What are the key properties of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide?
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide has a molecular weight of 199.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 110870149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).