3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline

C16H16N2S2 — CID 43714292

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline
SMILESCc1nc(-c2cccc(NCc3sccc3C)c2)cs1
InChIInChI=1S/C16H16N2S2/c1-11-6-7-19-16(11)9-17-14-5-3-4-13(8-14)15-10-20-12(2)18-15/h3-8,10,17H,9H2,1-2H3
InChIKeyHPRDLLUOUPGJFD-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.10
Rot. Bonds4

About 3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline

3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline (PubChem CID 43714292) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline
PubChem CID43714292
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline
SMILESCc1nc(-c2cccc(NCc3sccc3C)c2)cs1
InChIInChI=1S/C16H16N2S2/c1-11-6-7-19-16(11)9-17-14-5-3-4-13(8-14)15-10-20-12(2)18-15/h3-8,10,17H,9H2,1-2H3
InChIKeyHPRDLLUOUPGJFD-UHFFFAOYSA-N
XLogP5.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714289
N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 55233873
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
CID 82833997
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-4-ylmethyl)aniline
CID 62384496
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714309
N-heptan-3-yl-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 63945706
N-[(3-bromothiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 115380193
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 104860018

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline (CID 43714292) is 3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline is Cc1nc(-c2cccc(NCc3sccc3C)c2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline?
The InChIKey is HPRDLLUOUPGJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-11-6-7-19-16(11)9-17-14-5-3-4-13(8-14)15-10-20-12(2)18-15/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline?
3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline has a molecular weight of 300.45 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 43714292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).