N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

C17H25N5OS — CID 51312021

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(c2nccs2)CC1)C1(C#N)CCCCC1
InChIInChI=1S/C17H25N5OS/c1-20(17(14-18)5-3-2-4-6-17)15(23)13-21-8-10-22(11-9-21)16-19-7-12-24-16/h7,12H,2-6,8-11,13H2,1H3
InChIKeyFBXZHECDABDNGT-UHFFFAOYSA-N
MW347.49 g/mol
LogP1.95
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 51312021) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID51312021
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(c2nccs2)CC1)C1(C#N)CCCCC1
InChIInChI=1S/C17H25N5OS/c1-20(17(14-18)5-3-2-4-6-17)15(23)13-21-8-10-22(11-9-21)16-19-7-12-24-16/h7,12H,2-6,8-11,13H2,1H3
InChIKeyFBXZHECDABDNGT-UHFFFAOYSA-N
XLogP1.95
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 43214087
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 38063405
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 38517289
N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78962673
N-(1-cyanocyclohexyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 8997613
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 104594689
(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24691325
N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136677
N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499946
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 51312021) is N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is CN(C(=O)CN1CCN(c2nccs2)CC1)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is FBXZHECDABDNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-20(17(14-18)5-3-2-4-6-17)15(23)13-21-8-10-22(11-9-21)16-19-7-12-24-16/h7,12H,2-6,8-11,13H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 347.49 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 51312021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).