2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide

C13H23N3OS — CID 71986454

IUPAC2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide
SMILESCCC(C)(NCC(=O)NC(C)C)c1nc(C)cs1
InChIInChI=1S/C13H23N3OS/c1-6-13(5,12-16-10(4)8-18-12)14-7-11(17)15-9(2)3/h8-9,14H,6-7H2,1-5H3,(H,15,17)
InChIKeyLXJVVBSTBNBIBI-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.19
Rot. Bonds6

About 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide

2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide (PubChem CID 71986454) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide
PubChem CID71986454
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide
SMILESCCC(C)(NCC(=O)NC(C)C)c1nc(C)cs1
InChIInChI=1S/C13H23N3OS/c1-6-13(5,12-16-10(4)8-18-12)14-7-11(17)15-9(2)3/h8-9,14H,6-7H2,1-5H3,(H,15,17)
InChIKeyLXJVVBSTBNBIBI-UHFFFAOYSA-N
XLogP2.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide (CID 71986454) is 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide is CCC(C)(NCC(=O)NC(C)C)c1nc(C)cs1.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide?
The InChIKey is LXJVVBSTBNBIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-6-13(5,12-16-10(4)8-18-12)14-7-11(17)15-9(2)3/h8-9,14H,6-7H2,1-5H3,(H,15,17).
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide?
2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide has a molecular weight of 269.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 71986454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).