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

C14H24N4O2S — CID 111489714

IUPAC2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCCC(CO)N1CCN(CC(=O)N(C)c2nccs2)CC1
InChIInChI=1S/C14H24N4O2S/c1-3-12(11-19)18-7-5-17(6-8-18)10-13(20)16(2)14-15-4-9-21-14/h4,9,12,19H,3,5-8,10-11H2,1-2H3
InChIKeyNNDBVFWWJOGXSV-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.49
Rot. Bonds6

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

2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 111489714) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID111489714
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCCC(CO)N1CCN(CC(=O)N(C)c2nccs2)CC1
InChIInChI=1S/C14H24N4O2S/c1-3-12(11-19)18-7-5-17(6-8-18)10-13(20)16(2)14-15-4-9-21-14/h4,9,12,19H,3,5-8,10-11H2,1-2H3
InChIKeyNNDBVFWWJOGXSV-UHFFFAOYSA-N
XLogP0.49
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide (CID 111489714) is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide is CCC(CO)N1CCN(CC(=O)N(C)c2nccs2)CC1.
What is the InChIKey of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NNDBVFWWJOGXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-12(11-19)18-7-5-17(6-8-18)10-13(20)16(2)14-15-4-9-21-14/h4,9,12,19H,3,5-8,10-11H2,1-2H3.
What are the key properties of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 111489714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).