N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide

C14H18N4OS — CID 132969372

IUPACN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc(C(C)(C)C)ns2)cn1
InChIInChI=1S/C14H18N4OS/c1-9-5-6-10(8-15-9)7-11(19)16-13-17-12(18-20-13)14(2,3)4/h5-6,8H,7H2,1-4H3,(H,16,17,18,19)
InChIKeyZTFIORYOWCNBLL-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.72
Rot. Bonds3

About N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 132969372) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID132969372
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc(C(C)(C)C)ns2)cn1
InChIInChI=1S/C14H18N4OS/c1-9-5-6-10(8-15-9)7-11(19)16-13-17-12(18-20-13)14(2,3)4/h5-6,8H,7H2,1-4H3,(H,16,17,18,19)
InChIKeyZTFIORYOWCNBLL-UHFFFAOYSA-N
XLogP2.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 47259711
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119574924
phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate
CID 162365120
2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119249860
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-3-pyridinyl)acetamide
CID 47332378
4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119204226
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide
CID 167914072
N-(3,4-difluorophenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 71940458
2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119192178
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea
CID 136526242
N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119571100
N-(3-chloro-2-methyl-4-pyridinyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 75519852

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide (CID 132969372) is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(CC(=O)Nc2nc(C(C)(C)C)ns2)cn1.
What is the InChIKey of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is ZTFIORYOWCNBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-5-6-10(8-15-9)7-11(19)16-13-17-12(18-20-13)14(2,3)4/h5-6,8H,7H2,1-4H3,(H,16,17,18,19).
What are the key properties of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide?
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 132969372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).