N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide

C15H20N4OS2 — CID 75366127

IUPACN-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccs2)c(CN2CCN(C)CC2)s1
InChIInChI=1S/C15H20N4OS2/c1-11(20)16-15-17-14(12-4-3-9-21-12)13(22-15)10-19-7-5-18(2)6-8-19/h3-4,9H,5-8,10H2,1-2H3,(H,16,17,20)
InChIKeyAYRXBDQUNFAUTD-UHFFFAOYSA-N
MW336.49 g/mol
LogP2.58
Rot. Bonds4

About N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide

N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide (PubChem CID 75366127) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide
PubChem CID75366127
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC NameN-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccs2)c(CN2CCN(C)CC2)s1
InChIInChI=1S/C15H20N4OS2/c1-11(20)16-15-17-14(12-4-3-9-21-12)13(22-15)10-19-7-5-18(2)6-8-19/h3-4,9H,5-8,10H2,1-2H3,(H,16,17,20)
InChIKeyAYRXBDQUNFAUTD-UHFFFAOYSA-N
XLogP2.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide (CID 75366127) is N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cccs2)c(CN2CCN(C)CC2)s1.
What is the InChIKey of N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide?
The InChIKey is AYRXBDQUNFAUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-11(20)16-15-17-14(12-4-3-9-21-12)13(22-15)10-19-7-5-18(2)6-8-19/h3-4,9H,5-8,10H2,1-2H3,(H,16,17,20).
What are the key properties of N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide?
N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide has a molecular weight of 336.49 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 75366127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).