2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide

C12H21N3OS — CID 115432547

IUPAC2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCCc1cscn1
InChIInChI=1S/C12H21N3OS/c1-3-12(4-2,8-13)11(16)14-6-5-10-7-17-9-15-10/h7,9H,3-6,8,13H2,1-2H3,(H,14,16)
InChIKeyJAFIIHVHGNGZMC-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.57
Rot. Bonds7

About 2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide

2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 115432547) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID115432547
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCCc1cscn1
InChIInChI=1S/C12H21N3OS/c1-3-12(4-2,8-13)11(16)14-6-5-10-7-17-9-15-10/h7,9H,3-6,8,13H2,1-2H3,(H,14,16)
InChIKeyJAFIIHVHGNGZMC-UHFFFAOYSA-N
XLogP1.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63825896
3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 63826251
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943
3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 106112900
2-carbamothioyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63826075
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
CID 115731914
2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 63824166
methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate
CID 124604358
3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 79773105
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide (CID 115432547) is 2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide is CCC(CC)(CN)C(=O)NCCc1cscn1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is JAFIIHVHGNGZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-12(4-2,8-13)11(16)14-6-5-10-7-17-9-15-10/h7,9H,3-6,8,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 255.39 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 115432547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).