2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole

C10H16ClN3O2S2 — CID 43455758

IUPAC2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCCCN1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H16ClN3O2S2/c1-2-3-13-4-6-14(7-5-13)18(15,16)9-8-12-10(11)17-9/h8H,2-7H2,1H3
InChIKeyOSVZEOJSESMGDK-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.51
Rot. Bonds4

About 2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole

2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 43455758) has the molecular formula C10H16ClN3O2S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole
PubChem CID43455758
Molecular FormulaC10H16ClN3O2S2
Molecular Weight309.84 g/mol
Exact Mass309.04
IUPAC Name2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCCCN1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H16ClN3O2S2/c1-2-3-13-4-6-14(7-5-13)18(15,16)9-8-12-10(11)17-9/h8H,2-7H2,1H3
InChIKeyOSVZEOJSESMGDK-UHFFFAOYSA-N
XLogP1.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 54979823
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61044861
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61045951
2-Chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole
CID 61051524
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
CID 65537575
2-Methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 58328431
5-Piperidin-1-ylsulfonyl-1,3-thiazole
CID 91052193
5-(4-Methylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 91064755
5-(2,6-Dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 91804318
2-Methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole
CID 103951395
2-Bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole
CID 118230762
2-[(Dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride
CID 171055471

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole (CID 43455758) is 2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole is CCCN1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is OSVZEOJSESMGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S2/c1-2-3-13-4-6-14(7-5-13)18(15,16)9-8-12-10(11)17-9/h8H,2-7H2,1H3.
What are the key properties of 2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole?
2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 309.84 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 43455758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).