1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone

C19H27N5OS — CID 174614522

IUPAC1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCCN(N)c1ccc(CCc2ccc(N3CCN(C(C)=O)CC3)cn2)s1
InChIInChI=1S/C19H27N5OS/c1-3-24(20)19-9-8-18(26-19)7-5-16-4-6-17(14-21-16)23-12-10-22(11-13-23)15(2)25/h4,6,8-9,14H,3,5,7,10-13,20H2,1-2H3
InChIKeyJPRZTLVMPCNUFA-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.30
Rot. Bonds6

About 1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone

1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 174614522) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID174614522
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCCN(N)c1ccc(CCc2ccc(N3CCN(C(C)=O)CC3)cn2)s1
InChIInChI=1S/C19H27N5OS/c1-3-24(20)19-9-8-18(26-19)7-5-16-4-6-17(14-21-16)23-12-10-22(11-13-23)15(2)25/h4,6,8-9,14H,3,5,7,10-13,20H2,1-2H3
InChIKeyJPRZTLVMPCNUFA-UHFFFAOYSA-N
XLogP2.30
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophen-2-yl]ethyl N-aminocarbamate
CID 67267295
[5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophen-2-yl] propanoate
CID 91363189
1-[4-[6-[2-[4-(aminomethyl)phenyl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58181336
5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate
CID 174614422
[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid
CID 141250268
1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58181239
1-[[3-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methyl]-1-aminourea;trihydrochloride
CID 67267228
1-[4-[6-(2,2-dimethylpropyl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 135157721
[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methyl 2-aminoacetate
CID 58181358
2-[5-[(E)-2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethenyl]thiophen-2-yl]ethyl acetate
CID 58181289
5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide
CID 109187393
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83122375

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone (CID 174614522) is 1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone is CCN(N)c1ccc(CCc2ccc(N3CCN(C(C)=O)CC3)cn2)s1.
What is the InChIKey of 1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is JPRZTLVMPCNUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-3-24(20)19-9-8-18(26-19)7-5-16-4-6-17(14-21-16)23-12-10-22(11-13-23)15(2)25/h4,6,8-9,14H,3,5,7,10-13,20H2,1-2H3.
What are the key properties of 1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 373.53 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 174614522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).