(2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide

C10H17N3O2S — CID 30789397

IUPAC(2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(=O)N[C@@H](C(=O)NC1=NCCS1)C(C)C
InChIInChI=1S/C10H17N3O2S/c1-6(2)8(12-7(3)14)9(15)13-10-11-4-5-16-10/h6,8H,4-5H2,1-3H3,(H,12,14)(H,11,13,15)/t8-/m1/s1
InChIKeyOQWUJUJGOGJRBI-MRVPVSSYSA-N
MW243.33 g/mol
LogP0.37
Rot. Bonds3

About (2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide

(2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide (PubChem CID 30789397) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
PubChem CID30789397
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(=O)N[C@@H](C(=O)NC1=NCCS1)C(C)C
InChIInChI=1S/C10H17N3O2S/c1-6(2)8(12-7(3)14)9(15)13-10-11-4-5-16-10/h6,8H,4-5H2,1-3H3,(H,12,14)(H,11,13,15)/t8-/m1/s1
InChIKeyOQWUJUJGOGJRBI-MRVPVSSYSA-N
XLogP0.37
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
The IUPAC name of (2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide (CID 30789397) is (2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide is CC(=O)N[C@@H](C(=O)NC1=NCCS1)C(C)C.
What is the InChIKey of (2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
The InChIKey is OQWUJUJGOGJRBI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(2)8(12-7(3)14)9(15)13-10-11-4-5-16-10/h6,8H,4-5H2,1-3H3,(H,12,14)(H,11,13,15)/t8-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
(2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide has a molecular weight of 243.33 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 30789397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).