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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Related Compounds

2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 111489412
N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 60504796
N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide
CID 111489805
N-cyclohexyl-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 78834174
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 111497018
2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 95318447
N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95139935
2-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136924583
3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111497020
N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 86773887
N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 47182407
N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95630125

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).