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

C17H24N4OS — CID 50973098

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(C(C(=O)NCCCc2csc(N)n2)N(C)C)c1
InChIInChI=1S/C17H24N4OS/c1-12-6-4-7-13(10-12)15(21(2)3)16(22)19-9-5-8-14-11-23-17(18)20-14/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H2,18,20)(H,19,22)
InChIKeyWQOMTAVWFMKZDC-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.39
Rot. Bonds7

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

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide (PubChem CID 50973098) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
PubChem CID50973098
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(C(C(=O)NCCCc2csc(N)n2)N(C)C)c1
InChIInChI=1S/C17H24N4OS/c1-12-6-4-7-13(10-12)15(21(2)3)16(22)19-9-5-8-14-11-23-17(18)20-14/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H2,18,20)(H,19,22)
InChIKeyWQOMTAVWFMKZDC-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 72874920
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 95119560
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110717883
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide
CID 97131699
(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
CID 97206308
(2R)-2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97117026
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 72861699
(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
CID 163340668
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 72858955

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide (CID 50973098) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide is Cc1cccc(C(C(=O)NCCCc2csc(N)n2)N(C)C)c1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide?
The InChIKey is WQOMTAVWFMKZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12-6-4-7-13(10-12)15(21(2)3)16(22)19-9-5-8-14-11-23-17(18)20-14/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H2,18,20)(H,19,22).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide has a molecular weight of 332.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 50973098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).