5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole

C12H21N3O2S2 — CID 82191043

IUPAC5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole
SMILESCC(C)S(=O)(=O)Cc1ncc(CN2CCNCC2)s1
InChIInChI=1S/C12H21N3O2S2/c1-10(2)19(16,17)9-12-14-7-11(18-12)8-15-5-3-13-4-6-15/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyASCJHKVUXWPANK-UHFFFAOYSA-N
MW303.45 g/mol
LogP0.87
Rot. Bonds5

About 5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole

5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole (PubChem CID 82191043) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole
PubChem CID82191043
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole
SMILESCC(C)S(=O)(=O)Cc1ncc(CN2CCNCC2)s1
InChIInChI=1S/C12H21N3O2S2/c1-10(2)19(16,17)9-12-14-7-11(18-12)8-15-5-3-13-4-6-15/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyASCJHKVUXWPANK-UHFFFAOYSA-N
XLogP0.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole (CID 82191043) is 5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole is CC(C)S(=O)(=O)Cc1ncc(CN2CCNCC2)s1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
The InChIKey is ASCJHKVUXWPANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-10(2)19(16,17)9-12-14-7-11(18-12)8-15-5-3-13-4-6-15/h7,10,13H,3-6,8-9H2,1-2H3.
What are the key properties of 5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole has a molecular weight of 303.45 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 82191043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).