5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine

C14H17ClN4O2S2 — CID 120902713

IUPAC5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)s1
InChIInChI=1S/C14H17ClN4O2S2/c15-12-3-1-2-4-13(12)23(20,21)19-7-5-18(6-8-19)10-11-9-17-14(16)22-11/h1-4,9H,5-8,10H2,(H2,16,17)
InChIKeyPBVQHGNXMCLQQK-UHFFFAOYSA-N
MW372.90 g/mol
LogP1.89
Rot. Bonds4

About 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120902713) has the molecular formula C14H17ClN4O2S2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120902713
Molecular FormulaC14H17ClN4O2S2
Molecular Weight372.90 g/mol
Exact Mass372.05
IUPAC Name5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)s1
InChIInChI=1S/C14H17ClN4O2S2/c15-12-3-1-2-4-13(12)23(20,21)19-7-5-18(6-8-19)10-11-9-17-14(16)22-11/h1-4,9H,5-8,10H2,(H2,16,17)
InChIKeyPBVQHGNXMCLQQK-UHFFFAOYSA-N
XLogP1.89
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120902713) is 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)s1.
What is the InChIKey of 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is PBVQHGNXMCLQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S2/c15-12-3-1-2-4-13(12)23(20,21)19-7-5-18(6-8-19)10-11-9-17-14(16)22-11/h1-4,9H,5-8,10H2,(H2,16,17).
What are the key properties of 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 372.90 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).