2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole

C19H27N5O2S2 — CID 133272924

IUPAC2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(CN2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cs1
InChIInChI=1S/C19H27N5O2S2/c1-2-19-21-16(15-27-19)14-22-9-11-23(12-10-22)18-6-5-17(13-20-18)28(25,26)24-7-3-4-8-24/h5-6,13,15H,2-4,7-12,14H2,1H3
InChIKeyHMZDNHLTZXOMGZ-UHFFFAOYSA-N
MW421.59 g/mol
LogP2.21
Rot. Bonds6

About 2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole

2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 133272924) has the molecular formula C19H27N5O2S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID133272924
Molecular FormulaC19H27N5O2S2
Molecular Weight421.59 g/mol
Exact Mass421.16
IUPAC Name2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(CN2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cs1
InChIInChI=1S/C19H27N5O2S2/c1-2-19-21-16(15-27-19)14-22-9-11-23(12-10-22)18-6-5-17(13-20-18)28(25,26)24-7-3-4-8-24/h5-6,13,15H,2-4,7-12,14H2,1H3
InChIKeyHMZDNHLTZXOMGZ-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31418875
4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide
CID 55542243
1-propyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133322500
(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 133486332
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 55370178
4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 133272934
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine
CID 133292793
2-butyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 55648749

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 133272924) is 2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole is CCc1nc(CN2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cs1.
What is the InChIKey of 2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is HMZDNHLTZXOMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S2/c1-2-19-21-16(15-27-19)14-22-9-11-23(12-10-22)18-6-5-17(13-20-18)28(25,26)24-7-3-4-8-24/h5-6,13,15H,2-4,7-12,14H2,1H3.
What are the key properties of 2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 421.59 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 133272924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).