3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

C11H10Cl2N2S — CID 28780943

IUPAC3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2cc(Cl)cc(Cl)c2)cs1
InChIInChI=1S/C11H10Cl2N2S/c1-7-15-11(6-16-7)5-14-10-3-8(12)2-9(13)4-10/h2-4,6,14H,5H2,1H3
InChIKeyGUYJPMBFSWAPHW-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.37
Rot. Bonds3

About 3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 28780943) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID28780943
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2cc(Cl)cc(Cl)c2)cs1
InChIInChI=1S/C11H10Cl2N2S/c1-7-15-11(6-16-7)5-14-10-3-8(12)2-9(13)4-10/h2-4,6,14H,5H2,1H3
InChIKeyGUYJPMBFSWAPHW-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468699
2-chloro-1-N,1-N-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,4-diamine
CID 54865262
3-chloro-4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 54864080
2-chloro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 55152436
1-N-ethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-nitrobenzene-1,3-diamine
CID 80807047
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780796
4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 43091215
3-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)aniline
CID 116699387
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
6-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80807795
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 54862658

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 28780943) is 3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is Cc1nc(CNc2cc(Cl)cc(Cl)c2)cs1.
What is the InChIKey of 3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is GUYJPMBFSWAPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-7-15-11(6-16-7)5-14-10-3-8(12)2-9(13)4-10/h2-4,6,14H,5H2,1H3.
What are the key properties of 3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 273.19 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 28780943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).