N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide

C11H20N4OS — CID 113247405

IUPACN-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCC(C)NC(=O)CCNc1nc(C(C)C)ns1
InChIInChI=1S/C11H20N4OS/c1-7(2)10-14-11(17-15-10)12-6-5-9(16)13-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,16)(H,12,14,15)
InChIKeyOWZXZUBCJYNPEP-UHFFFAOYSA-N
MW256.38 g/mol
LogP1.99
Rot. Bonds6

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

N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide (PubChem CID 113247405) has the molecular formula C11H20N4OS and a molecular weight of 256.38 g/mol. Its IUPAC name is N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
PubChem CID113247405
Molecular FormulaC11H20N4OS
Molecular Weight256.38 g/mol
Exact Mass256.14
IUPAC NameN-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCC(C)NC(=O)CCNc1nc(C(C)C)ns1
InChIInChI=1S/C11H20N4OS/c1-7(2)10-14-11(17-15-10)12-6-5-9(16)13-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,16)(H,12,14,15)
InChIKeyOWZXZUBCJYNPEP-UHFFFAOYSA-N
XLogP1.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
CID 65270163
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
3-methyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 81065823
1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one
CID 97221836
N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274566
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
(3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid
CID 68803275
N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103525237
N-(5-chloro-4-methylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106154768
N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 104925633
2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid
CID 65270509
N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274259

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The IUPAC name of N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide (CID 113247405) is N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide.
What is the SMILES notation for N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The canonical SMILES for N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide is CC(C)NC(=O)CCNc1nc(C(C)C)ns1.
What is the InChIKey of N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The InChIKey is OWZXZUBCJYNPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-7(2)10-14-11(17-15-10)12-6-5-9(16)13-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,16)(H,12,14,15).
What are the key properties of N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide has a molecular weight of 256.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide is sourced from PubChem (CID 113247405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).