2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole

C12H18ClN3O2S2 — CID 79477565

IUPAC2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CC2CCCN2CC1C
InChIInChI=1S/C12H18ClN3O2S2/c1-8-6-15-5-3-4-10(15)7-16(8)20(17,18)11-9(2)14-12(13)19-11/h8,10H,3-7H2,1-2H3
InChIKeyZIAPHCXYYQXHDN-UHFFFAOYSA-N
MW335.88 g/mol
LogP1.96
Rot. Bonds2

About 2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole

2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole (PubChem CID 79477565) has the molecular formula C12H18ClN3O2S2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole
PubChem CID79477565
Molecular FormulaC12H18ClN3O2S2
Molecular Weight335.88 g/mol
Exact Mass335.05
IUPAC Name2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CC2CCCN2CC1C
InChIInChI=1S/C12H18ClN3O2S2/c1-8-6-15-5-3-4-10(15)7-16(8)20(17,18)11-9(2)14-12(13)19-11/h8,10H,3-7H2,1-2H3
InChIKeyZIAPHCXYYQXHDN-UHFFFAOYSA-N
XLogP1.96
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole with MolForge

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Related Compounds

2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
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(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107271319
[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 103833916
1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889113
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
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 54979772
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 61045232
2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 43456226
2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole
CID 61046643
[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine
CID 79942950
[5-methyl-3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyrazol-4-yl]methanol
CID 79935702
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane
CID 62973431

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole?
The IUPAC name of 2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole (CID 79477565) is 2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole is Cc1nc(Cl)sc1S(=O)(=O)N1CC2CCCN2CC1C.
What is the InChIKey of 2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole?
The InChIKey is ZIAPHCXYYQXHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S2/c1-8-6-15-5-3-4-10(15)7-16(8)20(17,18)11-9(2)14-12(13)19-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole?
2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole has a molecular weight of 335.88 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole is sourced from PubChem (CID 79477565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).