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

C11H11ClN2S — CID 82477026

IUPAC2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESNc1cc(CCc2nccs2)ccc1Cl
InChIInChI=1S/C11H11ClN2S/c12-9-3-1-8(7-10(9)13)2-4-11-14-5-6-15-11/h1,3,5-7H,2,4,13H2
InChIKeyCRFVNQUMBJPKRE-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.16
Rot. Bonds3

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

2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 82477026) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID82477026
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESNc1cc(CCc2nccs2)ccc1Cl
InChIInChI=1S/C11H11ClN2S/c12-9-3-1-8(7-10(9)13)2-4-11-14-5-6-15-11/h1,3,5-7H,2,4,13H2
InChIKeyCRFVNQUMBJPKRE-UHFFFAOYSA-N
XLogP3.16
TPSA38.91 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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
CID 82480085
2-chloro-5-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]aniline
CID 82485385
2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline
CID 98019806
2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline
CID 82485386
2-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 141425533
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
2-chloro-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63842276
4-chloro-3-(1,3-thiazol-2-ylmethylsulfonyl)aniline
CID 81201759
3-chloro-2-(1,3-thiazol-2-ylmethylsulfonyl)aniline
CID 81182195
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 94282162
2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 79476185

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline (CID 82477026) is 2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline is Nc1cc(CCc2nccs2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is CRFVNQUMBJPKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-9-3-1-8(7-10(9)13)2-4-11-14-5-6-15-11/h1,3,5-7H,2,4,13H2.
What are the key properties of 2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline?
2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 238.74 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 82477026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).