3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol

C14H19N3OS — CID 43770979

IUPAC3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol
SMILESCCN(CC)c1ncc(CNc2cccc(O)c2)s1
InChIInChI=1S/C14H19N3OS/c1-3-17(4-2)14-16-10-13(19-14)9-15-11-6-5-7-12(18)8-11/h5-8,10,15,18H,3-4,9H2,1-2H3
InChIKeyJDFJVCQJDNELPH-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.31
Rot. Bonds6

About 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol

3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol (PubChem CID 43770979) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol.

Molecular Properties

Compound Name3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol
PubChem CID43770979
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol
SMILESCCN(CC)c1ncc(CNc2cccc(O)c2)s1
InChIInChI=1S/C14H19N3OS/c1-3-17(4-2)14-16-10-13(19-14)9-15-11-6-5-7-12(18)8-11/h5-8,10,15,18H,3-4,9H2,1-2H3
InChIKeyJDFJVCQJDNELPH-UHFFFAOYSA-N
XLogP3.31
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine
CID 62810541
1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778705
N,N-diethyl-5-[(4-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43759134
5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 43758575
N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43780954
2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol
CID 110928886
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 113342046
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 54959823
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63997522
N,N-diethyl-5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 43777642
N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol?
The IUPAC name of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol (CID 43770979) is 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol.
What is the SMILES notation for 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol?
The canonical SMILES for 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol is CCN(CC)c1ncc(CNc2cccc(O)c2)s1.
What is the InChIKey of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol?
The InChIKey is JDFJVCQJDNELPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-17(4-2)14-16-10-13(19-14)9-15-11-6-5-7-12(18)8-11/h5-8,10,15,18H,3-4,9H2,1-2H3.
What are the key properties of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol?
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol has a molecular weight of 277.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol is sourced from PubChem (CID 43770979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).