N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide

C16H23N5OS — CID 36731447

IUPACN-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C16H23N5OS/c1-3-12(2)19-14(22)10-20-5-7-21(8-6-20)16-15-13(4-9-23-15)17-11-18-16/h4,9,11-12H,3,5-8,10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyTXQBZJXGFAEMSI-GFCCVEGCSA-N
MW333.46 g/mol
LogP1.73
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide

N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (PubChem CID 36731447) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
PubChem CID36731447
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C16H23N5OS/c1-3-12(2)19-14(22)10-20-5-7-21(8-6-20)16-15-13(4-9-23-15)17-11-18-16/h4,9,11-12H,3,5-8,10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyTXQBZJXGFAEMSI-GFCCVEGCSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 47130003
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
1-N-ethyl-3-N-[2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]benzene-1,3-dicarboxamide
CID 90398948
4-[4-(2-chloroethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 63392635
2-(4-aminopiperidin-1-yl)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 75496003
1,3-dimethyl-6-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 136527882
2-(6-hydroxy-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)acetic acid
CID 74232473
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide
CID 133340858
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
N-(1-naphthalen-1-ylethyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78848753
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 74652907

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (CID 36731447) is N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is CC[C@@H](C)NC(=O)CN1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is TXQBZJXGFAEMSI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-3-12(2)19-14(22)10-20-5-7-21(8-6-20)16-15-13(4-9-23-15)17-11-18-16/h4,9,11-12H,3,5-8,10H2,1-2H3,(H,19,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 36731447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).