2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide

C16H20N4OS — CID 34042322

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(c2nc3ccccc3s2)CC1)NC1CC1
InChIInChI=1S/C16H20N4OS/c21-15(17-12-5-6-12)11-19-7-9-20(10-8-19)16-18-13-3-1-2-4-14(13)22-16/h1-4,12H,5-11H2,(H,17,21)
InChIKeyAPZCLPBPGFCUPQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.70
Rot. Bonds4

About 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 34042322) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID34042322
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(c2nc3ccccc3s2)CC1)NC1CC1
InChIInChI=1S/C16H20N4OS/c21-15(17-12-5-6-12)11-19-7-9-20(10-8-19)16-18-13-3-1-2-4-14(13)22-16/h1-4,12H,5-11H2,(H,17,21)
InChIKeyAPZCLPBPGFCUPQ-UHFFFAOYSA-N
XLogP1.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 71901166
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 74652907
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 32680776
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 138993730
2-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62824679
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 1498147
4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 11610179
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-chlorophenyl)ethanone
CID 616020
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
methyl 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propanoate
CID 78982803
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane
CID 143404437
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78823360

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide (CID 34042322) is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(c2nc3ccccc3s2)CC1)NC1CC1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is APZCLPBPGFCUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-15(17-12-5-6-12)11-19-7-9-20(10-8-19)16-18-13-3-1-2-4-14(13)22-16/h1-4,12H,5-11H2,(H,17,21).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 316.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 34042322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).