2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide

C11H18N4OS — CID 133394625

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(Nc1nc(C2CC2)ns1)C(C)C
InChIInChI=1S/C11H18N4OS/c1-6(2)8(10(16)12-3)13-11-14-9(15-17-11)7-4-5-7/h6-8H,4-5H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeySJRQXWDUBJXOHV-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.60
Rot. Bonds5

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide (PubChem CID 133394625) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide
PubChem CID133394625
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(Nc1nc(C2CC2)ns1)C(C)C
InChIInChI=1S/C11H18N4OS/c1-6(2)8(10(16)12-3)13-11-14-9(15-17-11)7-4-5-7/h6-8H,4-5H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeySJRQXWDUBJXOHV-UHFFFAOYSA-N
XLogP1.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65271665
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 79245937
(2S,3S)-2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentanoic acid
CID 122106295
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide
CID 113408656
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65423064
N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400592
3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65274507
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65270826
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
CID 122062834
3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
CID 133358780
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271621

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide (CID 133394625) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide is CNC(=O)C(Nc1nc(C2CC2)ns1)C(C)C.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide?
The InChIKey is SJRQXWDUBJXOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-6(2)8(10(16)12-3)13-11-14-9(15-17-11)7-4-5-7/h6-8H,4-5H2,1-3H3,(H,12,16)(H,13,14,15).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide has a molecular weight of 254.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide is sourced from PubChem (CID 133394625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).