1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine

C14H18ClN3S — CID 163705071

IUPAC1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine
SMILESCCCC(C)N(N)c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C14H18ClN3S/c1-3-6-10(2)18(16)14-17-13(9-19-14)11-7-4-5-8-12(11)15/h4-5,7-10H,3,6,16H2,1-2H3
InChIKeyKEJHMJSULQCLJJ-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.33
Rot. Bonds5

About 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine

1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine (PubChem CID 163705071) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine
PubChem CID163705071
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine
SMILESCCCC(C)N(N)c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C14H18ClN3S/c1-3-6-10(2)18(16)14-17-13(9-19-14)11-7-4-5-8-12(11)15/h4-5,7-10H,3,6,16H2,1-2H3
InChIKeyKEJHMJSULQCLJJ-UHFFFAOYSA-N
XLogP4.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine?
The IUPAC name of 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine (CID 163705071) is 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine?
The canonical SMILES for 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine is CCCC(C)N(N)c1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine?
The InChIKey is KEJHMJSULQCLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-3-6-10(2)18(16)14-17-13(9-19-14)11-7-4-5-8-12(11)15/h4-5,7-10H,3,6,16H2,1-2H3.
What are the key properties of 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine?
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine has a molecular weight of 295.84 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-pentan-2-ylhydrazine is sourced from PubChem (CID 163705071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).