(2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide

C13H24N4OS — CID 119820953

IUPAC(2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1nnc(C(C)(C)C)s1
InChIInChI=1S/C13H24N4OS/c1-8(2)6-9(14)11(18)15-7-10-16-17-12(19-10)13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,18)/t9-/m0/s1
InChIKeyAMMKZTTWSARLCG-VIFPVBQESA-N
MW284.43 g/mol
LogP1.83
Rot. Bonds5

About (2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide

(2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide (PubChem CID 119820953) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide
PubChem CID119820953
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name(2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1nnc(C(C)(C)C)s1
InChIInChI=1S/C13H24N4OS/c1-8(2)6-9(14)11(18)15-7-10-16-17-12(19-10)13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,18)/t9-/m0/s1
InChIKeyAMMKZTTWSARLCG-VIFPVBQESA-N
XLogP1.83
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide (CID 119820953) is (2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCc1nnc(C(C)(C)C)s1.
What is the InChIKey of (2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide?
The InChIKey is AMMKZTTWSARLCG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H24N4OS/c1-8(2)6-9(14)11(18)15-7-10-16-17-12(19-10)13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide?
(2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide has a molecular weight of 284.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 119820953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).