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

C15H12Cl2N2S2 — CID 53272624

IUPAC1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
SMILESClc1ccc(CNCc2ncc(-c3cccs3)s2)cc1Cl
InChIInChI=1S/C15H12Cl2N2S2/c16-11-4-3-10(6-12(11)17)7-18-9-15-19-8-14(21-15)13-2-1-5-20-13/h1-6,8,18H,7,9H2
InChIKeyPRLLTSIVCPWSBG-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.47
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 53272624) has the molecular formula C15H12Cl2N2S2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID53272624
Molecular FormulaC15H12Cl2N2S2
Molecular Weight355.32 g/mol
Exact Mass353.98
IUPAC Name1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
SMILESClc1ccc(CNCc2ncc(-c3cccs3)s2)cc1Cl
InChIInChI=1S/C15H12Cl2N2S2/c16-11-4-3-10(6-12(11)17)7-18-9-15-19-8-14(21-15)13-2-1-5-20-13/h1-6,8,18H,7,9H2
InChIKeyPRLLTSIVCPWSBG-UHFFFAOYSA-N
XLogP5.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272623
1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273083
4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272345
1-(3,4-dichlorophenyl)-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273171
N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53273085
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53271626
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271475
1-(1,3-benzodioxol-5-yl)-N-[[5-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272132
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4719377
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
1-(1,3-benzodioxol-5-yl)-N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53271493
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53273444

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine (CID 53272624) is 1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine is Clc1ccc(CNCc2ncc(-c3cccs3)s2)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is PRLLTSIVCPWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S2/c16-11-4-3-10(6-12(11)17)7-18-9-15-19-8-14(21-15)13-2-1-5-20-13/h1-6,8,18H,7,9H2.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 355.32 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 53272624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).