[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C15H19N3O2S2 — CID 48573949

IUPAC[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCN(Cc3ccsc3)CC2)cs1
InChIInChI=1S/C15H19N3O2S2/c1-20-9-14-16-13(11-22-14)15(19)18-5-3-17(4-6-18)8-12-2-7-21-10-12/h2,7,10-11H,3-6,8-9H2,1H3
InChIKeyMQYZRRYYPCXBGS-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.31
Rot. Bonds5

About [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 48573949) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID48573949
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCN(Cc3ccsc3)CC2)cs1
InChIInChI=1S/C15H19N3O2S2/c1-20-9-14-16-13(11-22-14)15(19)18-5-3-17(4-6-18)8-12-2-7-21-10-12/h2,7,10-11H,3-6,8-9H2,1H3
InChIKeyMQYZRRYYPCXBGS-UHFFFAOYSA-N
XLogP2.31
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 48573949) is [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is COCc1nc(C(=O)N2CCN(Cc3ccsc3)CC2)cs1.
What is the InChIKey of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is MQYZRRYYPCXBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-20-9-14-16-13(11-22-14)15(19)18-5-3-17(4-6-18)8-12-2-7-21-10-12/h2,7,10-11H,3-6,8-9H2,1H3.
What are the key properties of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 337.47 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-(methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 48573949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).