N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine

C15H21N3S — CID 62963543

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine
SMILESCCc1csc(N(CC)Cc2ccccc2CN)n1
InChIInChI=1S/C15H21N3S/c1-3-14-11-19-15(17-14)18(4-2)10-13-8-6-5-7-12(13)9-16/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyCTWBDXXUPMKNTQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.19
Rot. Bonds6

About N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine

N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine (PubChem CID 62963543) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine
PubChem CID62963543
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine
SMILESCCc1csc(N(CC)Cc2ccccc2CN)n1
InChIInChI=1S/C15H21N3S/c1-3-14-11-19-15(17-14)18(4-2)10-13-8-6-5-7-12(13)9-16/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyCTWBDXXUPMKNTQ-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine (CID 62963543) is N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine is CCc1csc(N(CC)Cc2ccccc2CN)n1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine?
The InChIKey is CTWBDXXUPMKNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-14-11-19-15(17-14)18(4-2)10-13-8-6-5-7-12(13)9-16/h5-8,11H,3-4,9-10,16H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine?
N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62963543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).