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

C10H15ClN2O4S2 — CID 103532801

IUPAC2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
SMILESCOC1CN(S(=O)(=O)c2sc(Cl)nc2C)CC1OC
InChIInChI=1S/C10H15ClN2O4S2/c1-6-9(18-10(11)12-6)19(14,15)13-4-7(16-2)8(5-13)17-3/h7-8H,4-5H2,1-3H3
InChIKeyJASQBQOSINSILH-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.14
Rot. Bonds4

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

2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole (PubChem CID 103532801) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
PubChem CID103532801
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Name2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
SMILESCOC1CN(S(=O)(=O)c2sc(Cl)nc2C)CC1OC
InChIInChI=1S/C10H15ClN2O4S2/c1-6-9(18-10(11)12-6)19(14,15)13-4-7(16-2)8(5-13)17-3/h7-8H,4-5H2,1-3H3
InChIKeyJASQBQOSINSILH-UHFFFAOYSA-N
XLogP1.14
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
CID 43456060
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine
CID 115671947
(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107271319
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane
CID 62973431
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562748
N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 61041111
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61045949
4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
CID 103536788
5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
CID 154738268
2-chloro-4-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazole
CID 61047057
2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 55061949
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 61047580

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole (CID 103532801) is 2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole is COC1CN(S(=O)(=O)c2sc(Cl)nc2C)CC1OC.
What is the InChIKey of 2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The InChIKey is JASQBQOSINSILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c1-6-9(18-10(11)12-6)19(14,15)13-4-7(16-2)8(5-13)17-3/h7-8H,4-5H2,1-3H3.
What are the key properties of 2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole has a molecular weight of 326.83 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 103532801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).