2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide

C10H17N3OS — CID 65225533

IUPAC2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C10H17N3OS/c1-3-4-8(5-11)9(14)13-10-12-7(2)6-15-10/h6,8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyYYFVOWCAYDKRNH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.77
Rot. Bonds5

About 2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide

2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 65225533) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
PubChem CID65225533
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C10H17N3OS/c1-3-4-8(5-11)9(14)13-10-12-7(2)6-15-10/h6,8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyYYFVOWCAYDKRNH-UHFFFAOYSA-N
XLogP1.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide
CID 115532303
(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 104906853
2-amino-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 60849111
2-(1-aminopropan-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 66219365
2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide
CID 112741868
2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid
CID 65226722
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide
CID 65228936
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 103794300
2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81407804
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 82547684
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide (CID 65225533) is 2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide is CCCC(CN)C(=O)Nc1nc(C)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is YYFVOWCAYDKRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-4-8(5-11)9(14)13-10-12-7(2)6-15-10/h6,8H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 227.33 g/mol, XLogP of 1.77, 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-methyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 65225533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).