(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C14H22N4OS — CID 24691325

IUPAC(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(c3nccs3)CC2)CCCCC1
InChIInChI=1S/C14H22N4OS/c15-14(4-2-1-3-5-14)12(19)17-7-9-18(10-8-17)13-16-6-11-20-13/h6,11H,1-5,7-10,15H2
InChIKeyYTDVSORCELFDIK-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.45
Rot. Bonds2

About (1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 24691325) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID24691325
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(c3nccs3)CC2)CCCCC1
InChIInChI=1S/C14H22N4OS/c15-14(4-2-1-3-5-14)12(19)17-7-9-18(10-8-17)13-16-6-11-20-13/h6,11H,1-5,7-10,15H2
InChIKeyYTDVSORCELFDIK-UHFFFAOYSA-N
XLogP1.45
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide
CID 80590607
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83634826
(1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 34004993
(1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119886813
(1-aminocyclohexyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119842621
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
4-(methylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one
CID 119863940
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine
CID 24698429

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 24691325) is (1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is NC1(C(=O)N2CCN(c3nccs3)CC2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is YTDVSORCELFDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c15-14(4-2-1-3-5-14)12(19)17-7-9-18(10-8-17)13-16-6-11-20-13/h6,11H,1-5,7-10,15H2.
What are the key properties of (1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 294.42 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 24691325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).