2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide

C13H23N3OS — CID 119892016

IUPAC2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide
SMILESCCC(C)(NC(=O)C(C)CNC)c1nc(C)cs1
InChIInChI=1S/C13H23N3OS/c1-6-13(4,12-15-10(3)8-18-12)16-11(17)9(2)7-14-5/h8-9,14H,6-7H2,1-5H3,(H,16,17)
InChIKeyOORXOHNXYNRQFQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.05
Rot. Bonds6

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

2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide (PubChem CID 119892016) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide
PubChem CID119892016
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide
SMILESCCC(C)(NC(=O)C(C)CNC)c1nc(C)cs1
InChIInChI=1S/C13H23N3OS/c1-6-13(4,12-15-10(3)8-18-12)16-11(17)9(2)7-14-5/h8-9,14H,6-7H2,1-5H3,(H,16,17)
InChIKeyOORXOHNXYNRQFQ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 119892020
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892019
2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186173
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoyl]benzoic acid
CID 97328440
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71986453
2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 110470336
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883
2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
CID 120647240
1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea
CID 126778365
2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119858736
3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
CID 95903874
2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide
CID 95903901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide (CID 119892016) is 2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide is CCC(C)(NC(=O)C(C)CNC)c1nc(C)cs1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide?
The InChIKey is OORXOHNXYNRQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-6-13(4,12-15-10(3)8-18-12)16-11(17)9(2)7-14-5/h8-9,14H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide?
2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide has a molecular weight of 269.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide is sourced from PubChem (CID 119892016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).