2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol

C11H12ClN3OS — CID 145410070

IUPAC2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol
SMILESNN(CCO)c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C11H12ClN3OS/c12-9-4-2-1-3-8(9)10-7-17-11(14-10)15(13)5-6-16/h1-4,7,16H,5-6,13H2
InChIKeyPQORSTVMRRCXAR-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.14
Rot. Bonds4

About 2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol

2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol (PubChem CID 145410070) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol
PubChem CID145410070
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol
SMILESNN(CCO)c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C11H12ClN3OS/c12-9-4-2-1-3-8(9)10-7-17-11(14-10)15(13)5-6-16/h1-4,7,16H,5-6,13H2
InChIKeyPQORSTVMRRCXAR-UHFFFAOYSA-N
XLogP2.14
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol?
The IUPAC name of 2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol (CID 145410070) is 2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol is NN(CCO)c1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol?
The InChIKey is PQORSTVMRRCXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c12-9-4-2-1-3-8(9)10-7-17-11(14-10)15(13)5-6-16/h1-4,7,16H,5-6,13H2.
What are the key properties of 2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol?
2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol has a molecular weight of 269.76 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol is sourced from PubChem (CID 145410070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).