N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide

C18H25N3OS — CID 110329641

IUPACN-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1cccc(-c2nc(C)c(CC(=O)NCCCN(C)C)s2)c1
InChIInChI=1S/C18H25N3OS/c1-13-7-5-8-15(11-13)18-20-14(2)16(23-18)12-17(22)19-9-6-10-21(3)4/h5,7-8,11H,6,9-10,12H2,1-4H3,(H,19,22)
InChIKeyAPTGKZOYQIXUAQ-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.04
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide

N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 110329641) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
PubChem CID110329641
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1cccc(-c2nc(C)c(CC(=O)NCCCN(C)C)s2)c1
InChIInChI=1S/C18H25N3OS/c1-13-7-5-8-15(11-13)18-20-14(2)16(23-18)12-17(22)19-9-6-10-21(3)4/h5,7-8,11H,6,9-10,12H2,1-4H3,(H,19,22)
InChIKeyAPTGKZOYQIXUAQ-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
CID 110329629
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329647
3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7502972
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771
2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide
CID 110329211
4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886466
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329472
N-butyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328903
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 139948557
N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328926
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109053413

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 110329641) is N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide is Cc1cccc(-c2nc(C)c(CC(=O)NCCCN(C)C)s2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is APTGKZOYQIXUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13-7-5-8-15(11-13)18-20-14(2)16(23-18)12-17(22)19-9-6-10-21(3)4/h5,7-8,11H,6,9-10,12H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide?
N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 331.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 110329641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).