2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole

C10H16ClN3S — CID 15743929

IUPAC2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
SMILESClCCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H16ClN3S/c11-2-1-4-13-5-7-14(8-6-13)10-12-3-9-15-10/h3,9H,1-2,4-8H2
InChIKeyNEXANEKIHRNVQD-UHFFFAOYSA-N
MW245.78 g/mol
LogP1.89
Rot. Bonds4

About 2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole

2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 15743929) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
PubChem CID15743929
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
SMILESClCCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H16ClN3S/c11-2-1-4-13-5-7-14(8-6-13)10-12-3-9-15-10/h3,9H,1-2,4-8H2
InChIKeyNEXANEKIHRNVQD-UHFFFAOYSA-N
XLogP1.89
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonic acid
CID 88596257
5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide
CID 63568871
2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole
CID 134001056
N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
CID 62569125
2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole
CID 57388883
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
actinium;[4-(chloromethyl)phenyl]methylazanide;[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide
CID 158755114
2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine
CID 62573229
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318325
2-[4-[5-(4-propan-2-ylphenoxy)pentyl]piperazin-1-yl]-1,3-thiazole
CID 57388879
N'-[4-(4-methylpiperazin-1-yl)butyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111060215

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole (CID 15743929) is 2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole is ClCCCN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is NEXANEKIHRNVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c11-2-1-4-13-5-7-14(8-6-13)10-12-3-9-15-10/h3,9H,1-2,4-8H2.
What are the key properties of 2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole?
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 245.78 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 15743929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).