4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine

C11H11ClN2S — CID 646058

IUPAC4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H11ClN2S/c1-2-13-11-14-10(7-15-11)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,13,14)
InChIKeyMENNRQXMFWMWAH-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.90
Rot. Bonds3

About 4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 646058) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID646058
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H11ClN2S/c1-2-13-11-14-10(7-15-11)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,13,14)
InChIKeyMENNRQXMFWMWAH-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine (CID 646058) is 4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine is CCNc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is MENNRQXMFWMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-2-13-11-14-10(7-15-11)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 238.74 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 646058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).