N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine

C16H23N3S — CID 60697172

IUPACN-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CNCc2cscn2)cc1
InChIInChI=1S/C16H23N3S/c1-3-19(4-2)11-15-7-5-14(6-8-15)9-17-10-16-12-20-13-18-16/h5-8,12-13,17H,3-4,9-11H2,1-2H3
InChIKeyUOFTYPYAYUTTNZ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.27
Rot. Bonds8

About N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine

N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine (PubChem CID 60697172) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
PubChem CID60697172
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CNCc2cscn2)cc1
InChIInChI=1S/C16H23N3S/c1-3-19(4-2)11-15-7-5-14(6-8-15)9-17-10-16-12-20-13-18-16/h5-8,12-13,17H,3-4,9-11H2,1-2H3
InChIKeyUOFTYPYAYUTTNZ-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
CID 47013530
1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 115523996
4-[(1,3-thiazol-4-ylmethylamino)methyl]benzonitrile
CID 61170634
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60721281
1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 60721482
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63070347
1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 62196983
1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61223186
1-(3-fluoro-4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61221723
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697149

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine (CID 60697172) is N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(CNCc2cscn2)cc1.
What is the InChIKey of N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The InChIKey is UOFTYPYAYUTTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-19(4-2)11-15-7-5-14(6-8-15)9-17-10-16-12-20-13-18-16/h5-8,12-13,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine?
N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 60697172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).