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

C9H16N4OS — CID 124596954

IUPAC(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
SMILESCc1nsc(N[C@@H](C)C(=O)NC(C)C)n1
InChIInChI=1S/C9H16N4OS/c1-5(2)10-8(14)6(3)11-9-12-7(4)13-15-9/h5-6H,1-4H3,(H,10,14)(H,11,12,13)/t6-/m0/s1
InChIKeyFGPFYLWIANOZIK-LURJTMIESA-N
MW228.32 g/mol
LogP1.17
Rot. Bonds4

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

(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 124596954) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is (2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
PubChem CID124596954
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
SMILESCc1nsc(N[C@@H](C)C(=O)NC(C)C)n1
InChIInChI=1S/C9H16N4OS/c1-5(2)10-8(14)6(3)11-9-12-7(4)13-15-9/h5-6H,1-4H3,(H,10,14)(H,11,12,13)/t6-/m0/s1
InChIKeyFGPFYLWIANOZIK-LURJTMIESA-N
XLogP1.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide (CID 124596954) is (2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide is Cc1nsc(N[C@@H](C)C(=O)NC(C)C)n1.
What is the InChIKey of (2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is FGPFYLWIANOZIK-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N4OS/c1-5(2)10-8(14)6(3)11-9-12-7(4)13-15-9/h5-6H,1-4H3,(H,10,14)(H,11,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide?
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 228.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 124596954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).