N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline

C16H23N3S — CID 105169159

IUPACN,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCCCNC(Cc1nccs1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H23N3S/c1-4-9-17-15(12-16-18-10-11-20-16)13-5-7-14(8-6-13)19(2)3/h5-8,10-11,15,17H,4,9,12H2,1-3H3
InChIKeyGODYOYWGGZEWHT-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.49
Rot. Bonds7

About N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline

N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 105169159) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID105169159
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCCCNC(Cc1nccs1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H23N3S/c1-4-9-17-15(12-16-18-10-11-20-16)13-5-7-14(8-6-13)19(2)3/h5-8,10-11,15,17H,4,9,12H2,1-3H3
InChIKeyGODYOYWGGZEWHT-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82800945
N-[2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 81143134
N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465
N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 103374746
4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105165096
N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373
N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257
N-[1-(2-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 114031683
N-[1-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015002
N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169199

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline (CID 105169159) is N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline is CCCNC(Cc1nccs1)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is GODYOYWGGZEWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-9-17-15(12-16-18-10-11-20-16)13-5-7-14(8-6-13)19(2)3/h5-8,10-11,15,17H,4,9,12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline?
N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 289.45 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 105169159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).