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

C11H10Cl2N2S — CID 168582394

IUPAC4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
SMILESCc1cc(NCc2cnc(Cl)s2)ccc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-7-4-8(2-3-10(7)12)14-5-9-6-15-11(13)16-9/h2-4,6,14H,5H2,1H3
InChIKeyYYIBWHJVCUYODB-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.37
Rot. Bonds3

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

4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline (PubChem CID 168582394) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
PubChem CID168582394
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
SMILESCc1cc(NCc2cnc(Cl)s2)ccc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-7-4-8(2-3-10(7)12)14-5-9-6-15-11(13)16-9/h2-4,6,14H,5H2,1H3
InChIKeyYYIBWHJVCUYODB-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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenyl)aniline
CID 168582409
ethyl 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylbenzoate
CID 168580385
N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide
CID 168580981
4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60942118
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenoxy)aniline
CID 168583067
5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-methylaniline
CID 168581114
5-chloro-2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]isoindole-1,3-dione
CID 168581302
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-ethoxynaphthalen-2-amine
CID 168582544
2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168580497
N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide
CID 168581864
4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103823395

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline?
The IUPAC name of 4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline (CID 168582394) is 4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline.
What is the SMILES notation for 4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline?
The canonical SMILES for 4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline is Cc1cc(NCc2cnc(Cl)s2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline?
The InChIKey is YYIBWHJVCUYODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-7-4-8(2-3-10(7)12)14-5-9-6-15-11(13)16-9/h2-4,6,14H,5H2,1H3.
What are the key properties of 4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline?
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline 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 4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline is sourced from PubChem (CID 168582394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).