1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone

C15H20N4OS — CID 96710328

IUPAC1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone
SMILESCCNc1nc2ccc(N3CCN(C(C)=O)CC3)cc2s1
InChIInChI=1S/C15H20N4OS/c1-3-16-15-17-13-5-4-12(10-14(13)21-15)19-8-6-18(7-9-19)11(2)20/h4-5,10H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyLNXVKBCWFYCOLO-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.40
Rot. Bonds3

About 1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone

1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone (PubChem CID 96710328) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone
PubChem CID96710328
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone
SMILESCCNc1nc2ccc(N3CCN(C(C)=O)CC3)cc2s1
InChIInChI=1S/C15H20N4OS/c1-3-16-15-17-13-5-4-12(10-14(13)21-15)19-8-6-18(7-9-19)11(2)20/h4-5,10H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyLNXVKBCWFYCOLO-UHFFFAOYSA-N
XLogP2.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289696
1-[2-(ethylamino)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-5-yl]ethanone
CID 82549104
2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
CID 17244599
N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289472
butyl 2-(ethylamino)-1,3-benzothiazole-6-carboxylate
CID 82549191
6-ethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 39826455
N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619477
N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549051
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
1-[4-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]piperazin-1-yl]ethanone
CID 155455617
4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
CID 88910072
6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
CID 82548714

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone (CID 96710328) is 1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone is CCNc1nc2ccc(N3CCN(C(C)=O)CC3)cc2s1.
What is the InChIKey of 1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone?
The InChIKey is LNXVKBCWFYCOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-16-15-17-13-5-4-12(10-14(13)21-15)19-8-6-18(7-9-19)11(2)20/h4-5,10H,3,6-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone?
1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone has a molecular weight of 304.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 96710328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).