7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one

C15H26N4OS — CID 119851657

IUPAC7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one
SMILESCc1csc(N2CCN(C(=O)CCCCCCN)CC2)n1
InChIInChI=1S/C15H26N4OS/c1-13-12-21-15(17-13)19-10-8-18(9-11-19)14(20)6-4-2-3-5-7-16/h12H,2-11,16H2,1H3
InChIKeyVUQYIKDTVFJLMX-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.01
Rot. Bonds7

About 7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one

7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one (PubChem CID 119851657) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one.

Molecular Properties

Compound Name7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one
PubChem CID119851657
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one
SMILESCc1csc(N2CCN(C(=O)CCCCCCN)CC2)n1
InChIInChI=1S/C15H26N4OS/c1-13-12-21-15(17-13)19-10-8-18(9-11-19)14(20)6-4-2-3-5-7-16/h12H,2-11,16H2,1H3
InChIKeyVUQYIKDTVFJLMX-UHFFFAOYSA-N
XLogP2.01
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 120612449
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 86991316
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120642693
7-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]heptan-1-one
CID 119899749
2-(6-methyl-3-pyridinyl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 56817567
4-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 35166428
7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one
CID 119887294
2-(2-methoxyethylamino)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 119851720
(2S)-2-amino-3,3-dimethyl-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119851692
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119851715
1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 60573249

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one?
The IUPAC name of 7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one (CID 119851657) is 7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one.
What is the SMILES notation for 7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one?
The canonical SMILES for 7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one is Cc1csc(N2CCN(C(=O)CCCCCCN)CC2)n1.
What is the InChIKey of 7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one?
The InChIKey is VUQYIKDTVFJLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-13-12-21-15(17-13)19-10-8-18(9-11-19)14(20)6-4-2-3-5-7-16/h12H,2-11,16H2,1H3.
What are the key properties of 7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one?
7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one has a molecular weight of 310.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one is sourced from PubChem (CID 119851657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).