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

C16H23N3S — CID 63238583

IUPACN,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline
SMILESCc1csc(CCNC(C)c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C16H23N3S/c1-12-11-20-16(18-12)9-10-17-13(2)14-5-7-15(8-6-14)19(3)4/h5-8,11,13,17H,9-10H2,1-4H3
InChIKeyKGXRXBIWMKTCBL-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.41
Rot. Bonds6

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

N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline (PubChem CID 63238583) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline
PubChem CID63238583
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline
SMILESCc1csc(CCNC(C)c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C16H23N3S/c1-12-11-20-16(18-12)9-10-17-13(2)14-5-7-15(8-6-14)19(3)4/h5-8,11,13,17H,9-10H2,1-4H3
InChIKeyKGXRXBIWMKTCBL-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.41
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

1-(3,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238824
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 63238910
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238411
1-(3-bromo-4-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238584
N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline
CID 61474895
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238630
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831146
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine
CID 63238783

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline (CID 63238583) is N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline is Cc1csc(CCNC(C)c2ccc(N(C)C)cc2)n1.
What is the InChIKey of N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline?
The InChIKey is KGXRXBIWMKTCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12-11-20-16(18-12)9-10-17-13(2)14-5-7-15(8-6-14)19(3)4/h5-8,11,13,17H,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline?
N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline has a molecular weight of 289.45 g/mol, XLogP of 3.41, 6 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-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline is sourced from PubChem (CID 63238583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).