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

C15H18ClN3O2S — CID 22512367

IUPAC5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCN(C)CC1
InChIInChI=1S/C15H18ClN3O2S/c1-11-14(12-4-3-5-13(16)10-12)22(20,21)17-15(11)19-8-6-18(2)7-9-19/h3-5,10H,6-9H2,1-2H3
InChIKeyRUNWRCUDTRYHSO-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.06
Rot. Bonds1

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

5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide (PubChem CID 22512367) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
PubChem CID22512367
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCN(C)CC1
InChIInChI=1S/C15H18ClN3O2S/c1-11-14(12-4-3-5-13(16)10-12)22(20,21)17-15(11)19-8-6-18(2)7-9-19/h3-5,10H,6-9H2,1-2H3
InChIKeyRUNWRCUDTRYHSO-UHFFFAOYSA-N
XLogP2.06
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-4-methyl-3-(4-propylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
CID 22512369
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-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine
CID 15499603
3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide
CID 20934767
1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea
CID 53187036
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]-2-phenylpropanamide
CID 53171349
7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 67380705
ethyl 3-[[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]benzoate
CID 22512324

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide (CID 22512367) is 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide is CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCN(C)CC1.
What is the InChIKey of 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
The InChIKey is RUNWRCUDTRYHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-11-14(12-4-3-5-13(16)10-12)22(20,21)17-15(11)19-8-6-18(2)7-9-19/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide has a molecular weight of 339.85 g/mol, XLogP of 2.06, 1 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-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 22512367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).