2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide

C14H26N4OS — CID 62798402

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
SMILESCCC(CC)C(CNC(=O)Cc1csc(N)n1)N(C)C
InChIInChI=1S/C14H26N4OS/c1-5-10(6-2)12(18(3)4)8-16-13(19)7-11-9-20-14(15)17-11/h9-10,12H,5-8H2,1-4H3,(H2,15,17)(H,16,19)
InChIKeyPFSWXTWSYFYNDX-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.75
Rot. Bonds8

About 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide (PubChem CID 62798402) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
PubChem CID62798402
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
SMILESCCC(CC)C(CNC(=O)Cc1csc(N)n1)N(C)C
InChIInChI=1S/C14H26N4OS/c1-5-10(6-2)12(18(3)4)8-16-13(19)7-11-9-20-14(15)17-11/h9-10,12H,5-8H2,1-4H3,(H2,15,17)(H,16,19)
InChIKeyPFSWXTWSYFYNDX-UHFFFAOYSA-N
XLogP1.75
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 87289710
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 62797095
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106047664
2-(2-amino-1,3-thiazol-4-yl)-N-[(4-ethylcyclohexyl)methyl]acetamide
CID 62799282
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide
CID 103461497
2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide
CID 66388934
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 104761336
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 62884193
2-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430327
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide (CID 62798402) is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide is CCC(CC)C(CNC(=O)Cc1csc(N)n1)N(C)C.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide?
The InChIKey is PFSWXTWSYFYNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-5-10(6-2)12(18(3)4)8-16-13(19)7-11-9-20-14(15)17-11/h9-10,12H,5-8H2,1-4H3,(H2,15,17)(H,16,19).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide has a molecular weight of 298.46 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide is sourced from PubChem (CID 62798402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).