[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine

C15H26N4S — CID 24698429

IUPAC[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine
SMILESNCC1(N2CCN(c3nccs3)CC2)CCCCCC1
InChIInChI=1S/C15H26N4S/c16-13-15(5-3-1-2-4-6-15)19-10-8-18(9-11-19)14-17-7-12-20-14/h7,12H,1-6,8-11,13,16H2
InChIKeyHRCUGYMYVGDBBE-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.32
Rot. Bonds3

About [1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine

[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine (PubChem CID 24698429) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is [1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine
PubChem CID24698429
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine
SMILESNCC1(N2CCN(c3nccs3)CC2)CCCCCC1
InChIInChI=1S/C15H26N4S/c16-13-15(5-3-1-2-4-6-15)19-10-8-18(9-11-19)14-17-7-12-20-14/h7,12H,1-6,8-11,13,16H2
InChIKeyHRCUGYMYVGDBBE-UHFFFAOYSA-N
XLogP2.32
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
CID 62975822
N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111027257
[1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine
CID 24691066
(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24691325
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62752365
(1-piperidin-1-ylcycloheptyl)methanamine
CID 24703148
2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 104594689
2-[4-[[1-(bromomethyl)cyclobutyl]methyl]piperazin-1-yl]-1,3-thiazole
CID 65009413
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83634826
(1-piperidin-1-ylcyclohexyl)methanamine;hydrochloride
CID 66570693
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine?
The IUPAC name of [1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine (CID 24698429) is [1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine?
The canonical SMILES for [1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine is NCC1(N2CCN(c3nccs3)CC2)CCCCCC1.
What is the InChIKey of [1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine?
The InChIKey is HRCUGYMYVGDBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c16-13-15(5-3-1-2-4-6-15)19-10-8-18(9-11-19)14-17-7-12-20-14/h7,12H,1-6,8-11,13,16H2.
What are the key properties of [1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine?
[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine has a molecular weight of 294.47 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine is sourced from PubChem (CID 24698429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).