3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

C11H11ClN2S — CID 60941535

IUPAC3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cccc(Cl)c2)s1
InChIInChI=1S/C11H11ClN2S/c1-8-13-6-11(15-8)7-14-10-4-2-3-9(12)5-10/h2-6,14H,7H2,1H3
InChIKeyKJOBIJTUWWTCFI-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.72
Rot. Bonds3

About 3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 60941535) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID60941535
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cccc(Cl)c2)s1
InChIInChI=1S/C11H11ClN2S/c1-8-13-6-11(15-8)7-14-10-4-2-3-9(12)5-10/h2-6,14H,7H2,1H3
InChIKeyKJOBIJTUWWTCFI-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850
4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60942118
4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103823395
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941064
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)aniline
CID 116699159
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)aniline
CID 54868758
3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868679
3-chloro-N-(thiadiazol-5-ylmethyl)aniline
CID 130599769

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 60941535) is 3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncc(CNc2cccc(Cl)c2)s1.
What is the InChIKey of 3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is KJOBIJTUWWTCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-8-13-6-11(15-8)7-14-10-4-2-3-9(12)5-10/h2-6,14H,7H2,1H3.
What are the key properties of 3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 238.74 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60941535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).