2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide

C12H21N3OS — CID 115432443

IUPAC2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C12H21N3OS/c1-5-12(6-2,7-13)10(16)15-11-14-8(3)9(4)17-11/h5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyMTYFVYWLXHHMGF-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.46
Rot. Bonds5

About 2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide

2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide (PubChem CID 115432443) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide
PubChem CID115432443
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C12H21N3OS/c1-5-12(6-2,7-13)10(16)15-11-14-8(3)9(4)17-11/h5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyMTYFVYWLXHHMGF-UHFFFAOYSA-N
XLogP2.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbamothioyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylbutanamide
CID 113270546
2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 115431582
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 61467509
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801430
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
1-(cyanomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
CID 108864824
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119269701
2-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-2-ethylbutanamide
CID 114932033
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119295888
N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 55136363
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea
CID 108895174
1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 115437795

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide (CID 115432443) is 2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of 2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide?
The InChIKey is MTYFVYWLXHHMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-12(6-2,7-13)10(16)15-11-14-8(3)9(4)17-11/h5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide?
2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide has a molecular weight of 255.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 115432443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).