N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide

C17H24N4OS2 — CID 30412680

IUPACN-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C17H24N4OS2/c1-13(2)18-16(22)10-21-6-4-20(5-7-21)9-15-12-24-17(19-15)14-3-8-23-11-14/h3,8,11-13H,4-7,9-10H2,1-2H3,(H,18,22)
InChIKeyVLALJLRSMCDFDF-UHFFFAOYSA-N
MW364.54 g/mol
LogP2.51
Rot. Bonds6

About N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide

N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 30412680) has the molecular formula C17H24N4OS2 and a molecular weight of 364.54 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID30412680
Molecular FormulaC17H24N4OS2
Molecular Weight364.54 g/mol
Exact Mass364.14
IUPAC NameN-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C17H24N4OS2/c1-13(2)18-16(22)10-21-6-4-20(5-7-21)9-15-12-24-17(19-15)14-3-8-23-11-14/h3,8,11-13H,4-7,9-10H2,1-2H3,(H,18,22)
InChIKeyVLALJLRSMCDFDF-UHFFFAOYSA-N
XLogP2.51
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide (CID 30412680) is N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide is CC(C)NC(=O)CN1CCN(Cc2csc(-c3ccsc3)n2)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is VLALJLRSMCDFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS2/c1-13(2)18-16(22)10-21-6-4-20(5-7-21)9-15-12-24-17(19-15)14-3-8-23-11-14/h3,8,11-13H,4-7,9-10H2,1-2H3,(H,18,22).
What are the key properties of N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 364.54 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30412680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).