(1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride

C16H28Cl2N4OS — CID 119886813

IUPAC(1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCc1cnc(N2CCN(C(=O)C3(N)CCCCC3)CC2)s1.Cl.Cl
InChIInChI=1S/C16H26N4OS.2ClH/c1-2-13-12-18-15(22-13)20-10-8-19(9-11-20)14(21)16(17)6-4-3-5-7-16;;/h12H,2-11,17H2,1H3;2*1H
InChIKeyQGDUULHLPZUWCL-UHFFFAOYSA-N
MW395.40 g/mol
LogP2.86
Rot. Bonds3

About (1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride

(1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119886813) has the molecular formula C16H28Cl2N4OS and a molecular weight of 395.40 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119886813
Molecular FormulaC16H28Cl2N4OS
Molecular Weight395.40 g/mol
Exact Mass394.14
IUPAC Name(1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCc1cnc(N2CCN(C(=O)C3(N)CCCCC3)CC2)s1.Cl.Cl
InChIInChI=1S/C16H26N4OS.2ClH/c1-2-13-12-18-15(22-13)20-10-8-19(9-11-20)14(21)16(17)6-4-3-5-7-16;;/h12H,2-11,17H2,1H3;2*1H
InChIKeyQGDUULHLPZUWCL-UHFFFAOYSA-N
XLogP2.86
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride (CID 119886813) is (1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride is CCc1cnc(N2CCN(C(=O)C3(N)CCCCC3)CC2)s1.Cl.Cl.
What is the InChIKey of (1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is QGDUULHLPZUWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS.2ClH/c1-2-13-12-18-15(22-13)20-10-8-19(9-11-20)14(21)16(17)6-4-3-5-7-16;;/h12H,2-11,17H2,1H3;2*1H.
What are the key properties of (1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride?
(1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 395.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119886813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).