2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole

C10H14ClN3S — CID 134001056

IUPAC2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole
SMILESCl/C=C/CN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H14ClN3S/c11-2-1-4-13-5-7-14(8-6-13)10-12-3-9-15-10/h1-3,9H,4-8H2/b2-1+
InChIKeyQWOMXEYZWBJAJQ-OWOJBTEDSA-N
MW243.76 g/mol
LogP2.02
Rot. Bonds3

About 2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole

2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 134001056) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole
PubChem CID134001056
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole
SMILESCl/C=C/CN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H14ClN3S/c11-2-1-4-13-5-7-14(8-6-13)10-12-3-9-15-10/h1-3,9H,4-8H2/b2-1+
InChIKeyQWOMXEYZWBJAJQ-OWOJBTEDSA-N
XLogP2.02
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
methyl 2-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]but-2-enoate
CID 77074608
N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine
CID 62425656
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
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62752365
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
CID 78805879
4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 83151968
2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole
CID 61256786

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole (CID 134001056) is 2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole is Cl/C=C/CN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is QWOMXEYZWBJAJQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H14ClN3S/c11-2-1-4-13-5-7-14(8-6-13)10-12-3-9-15-10/h1-3,9H,4-8H2/b2-1+.
What are the key properties of 2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 243.76 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 134001056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).