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

C11H10Cl2N2S — CID 28781776

IUPAC2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C11H10Cl2N2S/c1-7-15-8(6-16-7)5-14-10-4-2-3-9(12)11(10)13/h2-4,6,14H,5H2,1H3
InChIKeyBHYASHYRFKFHGA-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.37
Rot. Bonds3

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

2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 28781776) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID28781776
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C11H10Cl2N2S/c1-7-15-8(6-16-7)5-14-10-4-2-3-9(12)11(10)13/h2-4,6,14H,5H2,1H3
InChIKeyBHYASHYRFKFHGA-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 28781776) is 2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is Cc1nc(CNc2cccc(Cl)c2Cl)cs1.
What is the InChIKey of 2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is BHYASHYRFKFHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-7-15-8(6-16-7)5-14-10-4-2-3-9(12)11(10)13/h2-4,6,14H,5H2,1H3.
What are the key properties of 2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
2,3-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 2,3-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 28781776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).