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

C8H12ClN3O4S3 — CID 61042545

IUPAC2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C8H12ClN3O4S3/c1-18(13,14)11-2-4-12(5-3-11)19(15,16)7-6-10-8(9)17-7/h6H,2-5H2,1H3
InChIKeyDRFUUGYDNVKALQ-UHFFFAOYSA-N
MW345.86 g/mol
LogP0.06
Rot. Bonds3

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

2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 61042545) has the molecular formula C8H12ClN3O4S3 and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole
PubChem CID61042545
Molecular FormulaC8H12ClN3O4S3
Molecular Weight345.86 g/mol
Exact Mass344.97
IUPAC Name2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C8H12ClN3O4S3/c1-18(13,14)11-2-4-12(5-3-11)19(15,16)7-6-10-8(9)17-7/h6H,2-5H2,1H3
InChIKeyDRFUUGYDNVKALQ-UHFFFAOYSA-N
XLogP0.06
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazine-1-carboxylate
CID 61047456
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-thiazepane
CID 61419635
2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455811
(3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107877932
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 107216901
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
CID 43427528
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanesulfonamide
CID 61047427
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562749
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane
CID 114279255
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine
CID 66382849
tert-butyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]carbamate
CID 177057152
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide
CID 61045778

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole (CID 61042545) is 2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole is CS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is DRFUUGYDNVKALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O4S3/c1-18(13,14)11-2-4-12(5-3-11)19(15,16)7-6-10-8(9)17-7/h6H,2-5H2,1H3.
What are the key properties of 2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole?
2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 345.86 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 61042545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).