5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide

C17H22ClN3O2S — CID 22512369

IUPAC5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
SMILESCCCN1CCN(C2=NS(=O)(=O)C(c3cccc(Cl)c3)=C2C)CC1
InChIInChI=1S/C17H22ClN3O2S/c1-3-7-20-8-10-21(11-9-20)17-13(2)16(24(22,23)19-17)14-5-4-6-15(18)12-14/h4-6,12H,3,7-11H2,1-2H3
InChIKeyHTRMHJKMULWWJR-UHFFFAOYSA-N
MW367.90 g/mol
LogP2.84
Rot. Bonds3

About 5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide

5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide (PubChem CID 22512369) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
PubChem CID22512369
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
SMILESCCCN1CCN(C2=NS(=O)(=O)C(c3cccc(Cl)c3)=C2C)CC1
InChIInChI=1S/C17H22ClN3O2S/c1-3-7-20-8-10-21(11-9-20)17-13(2)16(24(22,23)19-17)14-5-4-6-15(18)12-14/h4-6,12H,3,7-11H2,1-2H3
InChIKeyHTRMHJKMULWWJR-UHFFFAOYSA-N
XLogP2.84
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
CID 22512367
5-(3-chlorophenyl)-3-(4-ethylsulfonyl-1,4-diazepan-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide
CID 53187186
1-[4-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-1,4-diazepan-1-yl]-3-methoxypropan-1-one
CID 53171648
1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
CID 53187044
N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide
CID 53171415
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20943115
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
CID 62575733
2-butyl-4-chloro-5-(3-chlorophenyl)-1,1-dioxo-1,2-thiazol-3-one
CID 68661625
ethyl 3-[[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]benzoate
CID 22512324
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-2-carboxamide
CID 53171324
4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde
CID 114843885

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide (CID 22512369) is 5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide is CCCN1CCN(C2=NS(=O)(=O)C(c3cccc(Cl)c3)=C2C)CC1.
What is the InChIKey of 5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
The InChIKey is HTRMHJKMULWWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-3-7-20-8-10-21(11-9-20)17-13(2)16(24(22,23)19-17)14-5-4-6-15(18)12-14/h4-6,12H,3,7-11H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide has a molecular weight of 367.90 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 22512369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).