N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine

C17H25N3S — CID 79782807

IUPACN-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1sc(CN(C)C)nc1-c1ccccc1
InChIInChI=1S/C17H25N3S/c1-4-11-18-12-10-15-17(14-8-6-5-7-9-14)19-16(21-15)13-20(2)3/h5-9,18H,4,10-13H2,1-3H3
InChIKeyCTHMHAXDYDIMSB-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.41
Rot. Bonds8

About N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 79782807) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID79782807
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1sc(CN(C)C)nc1-c1ccccc1
InChIInChI=1S/C17H25N3S/c1-4-11-18-12-10-15-17(14-8-6-5-7-9-14)19-16(21-15)13-20(2)3/h5-9,18H,4,10-13H2,1-3H3
InChIKeyCTHMHAXDYDIMSB-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.41
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-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79786314
N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine
CID 79782932
2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782920
N-[[2-[(dimethylamino)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432874
N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
CID 79786398
5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79782622
N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782811
N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
CID 79786315
5-pentyl-4-phenyl-1,3-thiazol-2-amine
CID 3356434
N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82102720
1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81174031

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 79782807) is N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNCCc1sc(CN(C)C)nc1-c1ccccc1.
What is the InChIKey of N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is CTHMHAXDYDIMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-11-18-12-10-15-17(14-8-6-5-7-9-14)19-16(21-15)13-20(2)3/h5-9,18H,4,10-13H2,1-3H3.
What are the key properties of N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79782807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).