2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

C19H28N4O2S — CID 30486304

IUPAC2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1csc(CN2CCN(CC(=O)NCc3ccco3)CC2)n1
InChIInChI=1S/C19H28N4O2S/c1-19(2,3)16-14-26-18(21-16)13-23-8-6-22(7-9-23)12-17(24)20-11-15-5-4-10-25-15/h4-5,10,14H,6-9,11-13H2,1-3H3,(H,20,24)
InChIKeySEOHNTBRVHXJCK-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.47
Rot. Bonds6

About 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 30486304) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID30486304
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1csc(CN2CCN(CC(=O)NCc3ccco3)CC2)n1
InChIInChI=1S/C19H28N4O2S/c1-19(2,3)16-14-26-18(21-16)13-23-8-6-22(7-9-23)12-17(24)20-11-15-5-4-10-25-15/h4-5,10,14H,6-9,11-13H2,1-3H3,(H,20,24)
InChIKeySEOHNTBRVHXJCK-UHFFFAOYSA-N
XLogP2.47
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 30486304) is 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is CC(C)(C)c1csc(CN2CCN(CC(=O)NCc3ccco3)CC2)n1.
What is the InChIKey of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SEOHNTBRVHXJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-19(2,3)16-14-26-18(21-16)13-23-8-6-22(7-9-23)12-17(24)20-11-15-5-4-10-25-15/h4-5,10,14H,6-9,11-13H2,1-3H3,(H,20,24).
What are the key properties of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 376.53 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 30486304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).