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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Related Compounds

5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902380
5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902392
5-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine
CID 120900283
5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 2539571
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575
1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391386
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897945
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142329
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964

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).