1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine

C15H17ClN4S — CID 2304117

IUPAC1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
SMILESClc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1
InChIInChI=1S/C15H17ClN4S/c16-12-7-5-11(6-8-12)13-10-21-15(18-13)20-19-14-4-2-1-3-9-17-14/h5-8,10H,1-4,9H2,(H,17,19)(H,18,20)
InChIKeyNWCXGLKPKIACKU-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.35
Rot. Bonds3

About 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine (PubChem CID 2304117) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
PubChem CID2304117
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
SMILESClc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1
InChIInChI=1S/C15H17ClN4S/c16-12-7-5-11(6-8-12)13-10-21-15(18-13)20-19-14-4-2-1-3-9-17-14/h5-8,10H,1-4,9H2,(H,17,19)(H,18,20)
InChIKeyNWCXGLKPKIACKU-UHFFFAOYSA-N
XLogP4.35
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine (CID 2304117) is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine is Clc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The InChIKey is NWCXGLKPKIACKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c16-12-7-5-11(6-8-12)13-10-21-15(18-13)20-19-14-4-2-1-3-9-17-14/h5-8,10H,1-4,9H2,(H,17,19)(H,18,20).
What are the key properties of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine has a molecular weight of 320.85 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine is sourced from PubChem (CID 2304117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).