5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine

C14H19N3S — CID 62765496

IUPAC5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1nc(-c2ccccc2)c(CN)s1
InChIInChI=1S/C14H19N3S/c1-3-17(4-2)14-16-13(12(10-15)18-14)11-8-6-5-7-9-11/h5-9H,3-4,10,15H2,1-2H3
InChIKeyWTAHNUOICKNCJZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.12
Rot. Bonds5

About 5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine

5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 62765496) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID62765496
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1nc(-c2ccccc2)c(CN)s1
InChIInChI=1S/C14H19N3S/c1-3-17(4-2)14-16-13(12(10-15)18-14)11-8-6-5-7-9-11/h5-9H,3-4,10,15H2,1-2H3
InChIKeyWTAHNUOICKNCJZ-UHFFFAOYSA-N
XLogP3.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
CID 62768298
5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
CID 62769279
2-bromo-5-ethyl-4-phenyl-1,3-thiazole
CID 68778379
(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81174347
[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81173380
[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177624
[2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 82903660
[2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol
CID 62780155
5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 62764504
N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine
CID 62764673
[2-(3-bromo-5-fluorophenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177395
(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 62765688

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine (CID 62765496) is 5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine is CCN(CC)c1nc(-c2ccccc2)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is WTAHNUOICKNCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-17(4-2)14-16-13(12(10-15)18-14)11-8-6-5-7-9-11/h5-9H,3-4,10,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62765496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).