2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole

C16H22N4O2S2 — CID 70773902

IUPAC2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESO=S(=O)(CCn1ccnc1-c1nc2c(s1)CCCC2)N1CCCC1
InChIInChI=1S/C16H22N4O2S2/c21-24(22,20-8-3-4-9-20)12-11-19-10-7-17-15(19)16-18-13-5-1-2-6-14(13)23-16/h7,10H,1-6,8-9,11-12H2
InChIKeyKZGATRYJPVYOMV-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.31
Rot. Bonds5

About 2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole

2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 70773902) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID70773902
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC Name2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESO=S(=O)(CCn1ccnc1-c1nc2c(s1)CCCC2)N1CCCC1
InChIInChI=1S/C16H22N4O2S2/c21-24(22,20-8-3-4-9-20)12-11-19-10-7-17-15(19)16-18-13-5-1-2-6-14(13)23-16/h7,10H,1-6,8-9,11-12H2
InChIKeyKZGATRYJPVYOMV-UHFFFAOYSA-N
XLogP2.31
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole with MolForge

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Related Compounds

4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
CID 154823548
1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine
CID 141339098
3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
CID 125441381
2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 14531647
4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
CID 154817124
2-[(3S,7S,8aS)-7-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]ethanol
CID 154817297
1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
CID 56889384
formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
CID 163334791
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511
2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 82081689
1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
CID 4599987
formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine
CID 155939523

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of 2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 70773902) is 2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for 2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole is O=S(=O)(CCn1ccnc1-c1nc2c(s1)CCCC2)N1CCCC1.
What is the InChIKey of 2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is KZGATRYJPVYOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c21-24(22,20-8-3-4-9-20)12-11-19-10-7-17-15(19)16-18-13-5-1-2-6-14(13)23-16/h7,10H,1-6,8-9,11-12H2.
What are the key properties of 2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 366.51 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyrrolidin-1-ylsulfonylethyl)imidazol-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 70773902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).