N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine

C16H16N2S2 — CID 53273085

IUPACN-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ccc(-c2cnc(CNCc3cccs3)s2)cc1
InChIInChI=1S/C16H16N2S2/c1-12-4-6-13(7-5-12)15-10-18-16(20-15)11-17-9-14-3-2-8-19-14/h2-8,10,17H,9,11H2,1H3
InChIKeyMANOWIIJXDMDMG-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.47
Rot. Bonds5

About N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine

N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine (PubChem CID 53273085) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
PubChem CID53273085
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC NameN-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ccc(-c2cnc(CNCc3cccs3)s2)cc1
InChIInChI=1S/C16H16N2S2/c1-12-4-6-13(7-5-12)15-10-18-16(20-15)11-17-9-14-3-2-8-19-14/h2-8,10,17H,9,11H2,1H3
InChIKeyMANOWIIJXDMDMG-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53272360
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53272191
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655838
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53273444
N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 112755658
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
CID 103701941
1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272624
1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273083
5-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43173671
1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272659
1-(2,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272623
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine (CID 53273085) is N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine is Cc1ccc(-c2cnc(CNCc3cccs3)s2)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is MANOWIIJXDMDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-12-4-6-13(7-5-12)15-10-18-16(20-15)11-17-9-14-3-2-8-19-14/h2-8,10,17H,9,11H2,1H3.
What are the key properties of N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine?
N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 300.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 53273085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).