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

C18H29N5O2S — CID 34193666

IUPAC2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)n1
InChIInChI=1S/C18H29N5O2S/c1-15-14-26-18(19-15)20-16(24)12-21-8-10-22(11-9-21)13-17(25)23-6-4-2-3-5-7-23/h14H,2-13H2,1H3,(H,19,20,24)
InChIKeyGXQMHJSMAMAERK-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.41
Rot. Bonds5

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

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 34193666) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID34193666
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)n1
InChIInChI=1S/C18H29N5O2S/c1-15-14-26-18(19-15)20-16(24)12-21-8-10-22(11-9-21)13-17(25)23-6-4-2-3-5-7-23/h14H,2-13H2,1H3,(H,19,20,24)
InChIKeyGXQMHJSMAMAERK-UHFFFAOYSA-N
XLogP1.41
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 34193666) is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)n1.
What is the InChIKey of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GXQMHJSMAMAERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-15-14-26-18(19-15)20-16(24)12-21-8-10-22(11-9-21)13-17(25)23-6-4-2-3-5-7-23/h14H,2-13H2,1H3,(H,19,20,24).
What are the key properties of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 379.53 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 34193666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).