3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide

C10H19N3OS — CID 106097574

IUPAC3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide
SMILESCCC1CSC(NC(C)(C)CC(N)=O)=N1
InChIInChI=1S/C10H19N3OS/c1-4-7-6-15-9(12-7)13-10(2,3)5-8(11)14/h7H,4-6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyZAOSGOUTDIBTSJ-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.11
Rot. Bonds4

About 3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide

3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide (PubChem CID 106097574) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide
PubChem CID106097574
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide
SMILESCCC1CSC(NC(C)(C)CC(N)=O)=N1
InChIInChI=1S/C10H19N3OS/c1-4-7-6-15-9(12-7)13-10(2,3)5-8(11)14/h7H,4-6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyZAOSGOUTDIBTSJ-UHFFFAOYSA-N
XLogP1.11
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide (CID 106097574) is 3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide is CCC1CSC(NC(C)(C)CC(N)=O)=N1.
What is the InChIKey of 3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
The InChIKey is ZAOSGOUTDIBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-7-6-15-9(12-7)13-10(2,3)5-8(11)14/h7H,4-6H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of 3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide has a molecular weight of 229.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106097574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).