2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide

C14H25N3OS — CID 107472241

IUPAC2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
SMILESCCC(NC(=O)C(CN)CC(C)(C)C)c1nccs1
InChIInChI=1S/C14H25N3OS/c1-5-11(13-16-6-7-19-13)17-12(18)10(9-15)8-14(2,3)4/h6-7,10-11H,5,8-9,15H2,1-4H3,(H,17,18)
InChIKeyIDQGEYVTWWOIGX-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.72
Rot. Bonds6

About 2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide

2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide (PubChem CID 107472241) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
PubChem CID107472241
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
SMILESCCC(NC(=O)C(CN)CC(C)(C)C)c1nccs1
InChIInChI=1S/C14H25N3OS/c1-5-11(13-16-6-7-19-13)17-12(18)10(9-15)8-14(2,3)4/h6-7,10-11H,5,8-9,15H2,1-4H3,(H,17,18)
InChIKeyIDQGEYVTWWOIGX-UHFFFAOYSA-N
XLogP2.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119890751
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide
CID 107472030
(2R)-3,3-dimethyl-2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]butanoic acid
CID 103928082
2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120597101
2,2-dimethyl-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 79624178
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 115437914
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
1-(1,3-oxazol-2-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)propyl]urea
CID 97307926

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide (CID 107472241) is 2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide is CCC(NC(=O)C(CN)CC(C)(C)C)c1nccs1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide?
The InChIKey is IDQGEYVTWWOIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-5-11(13-16-6-7-19-13)17-12(18)10(9-15)8-14(2,3)4/h6-7,10-11H,5,8-9,15H2,1-4H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide has a molecular weight of 283.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide is sourced from PubChem (CID 107472241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).