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

C16H21N3OS — CID 71868856

IUPAC2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide
SMILESCCC(C)(NCC(=O)Nc1ccccc1)c1nc(C)cs1
InChIInChI=1S/C16H21N3OS/c1-4-16(3,15-18-12(2)11-21-15)17-10-14(20)19-13-8-6-5-7-9-13/h5-9,11,17H,4,10H2,1-3H3,(H,19,20)
InChIKeyFXRSIYXVMLZFIC-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.31
Rot. Bonds6

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

2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide (PubChem CID 71868856) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide
PubChem CID71868856
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide
SMILESCCC(C)(NCC(=O)Nc1ccccc1)c1nc(C)cs1
InChIInChI=1S/C16H21N3OS/c1-4-16(3,15-18-12(2)11-21-15)17-10-14(20)19-13-8-6-5-7-9-13/h5-9,11,17H,4,10H2,1-3H3,(H,19,20)
InChIKeyFXRSIYXVMLZFIC-UHFFFAOYSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.31
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-phenylacetamide?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide (CID 71868856) is 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide is CCC(C)(NCC(=O)Nc1ccccc1)c1nc(C)cs1.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide?
The InChIKey is FXRSIYXVMLZFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-16(3,15-18-12(2)11-21-15)17-10-14(20)19-13-8-6-5-7-9-13/h5-9,11,17H,4,10H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide?
2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide has a molecular weight of 303.43 g/mol, XLogP of 3.31, 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-phenylacetamide is sourced from PubChem (CID 71868856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).