3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide

C8H15N3OS — CID 106097570

IUPAC3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC1=NCCS1
InChIInChI=1S/C8H15N3OS/c1-8(2,5-6(9)12)11-7-10-3-4-13-7/h3-5H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyDEBBORNDDLPFKI-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.33
Rot. Bonds3

About 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide

3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide (PubChem CID 106097570) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide
PubChem CID106097570
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC1=NCCS1
InChIInChI=1S/C8H15N3OS/c1-8(2,5-6(9)12)11-7-10-3-4-13-7/h3-5H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyDEBBORNDDLPFKI-UHFFFAOYSA-N
XLogP0.33
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide?
The IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide (CID 106097570) is 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide.
What is the SMILES notation for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide?
The canonical SMILES for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide is CC(C)(CC(N)=O)NC1=NCCS1.
What is the InChIKey of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide?
The InChIKey is DEBBORNDDLPFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-8(2,5-6(9)12)11-7-10-3-4-13-7/h3-5H2,1-2H3,(H2,9,12)(H,10,11).
What are the key properties of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide?
3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide has a molecular weight of 201.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide is sourced from PubChem (CID 106097570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).