N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

C17H28N4OS — CID 42931500

IUPACN-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCC1CCCCC1NC(=O)C(C)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H28N4OS/c1-13-5-3-4-6-15(13)19-16(22)14(2)20-8-10-21(11-9-20)17-18-7-12-23-17/h7,12-15H,3-6,8-11H2,1-2H3,(H,19,22)
InChIKeyWWTNAOAFBZDTRG-UHFFFAOYSA-N
MW336.51 g/mol
LogP2.35
Rot. Bonds4

About N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 42931500) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
PubChem CID42931500
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC NameN-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCC1CCCCC1NC(=O)C(C)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H28N4OS/c1-13-5-3-4-6-15(13)19-16(22)14(2)20-8-10-21(11-9-20)17-18-7-12-23-17/h7,12-15H,3-6,8-11H2,1-2H3,(H,19,22)
InChIKeyWWTNAOAFBZDTRG-UHFFFAOYSA-N
XLogP2.35
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (CID 42931500) is N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is CC1CCCCC1NC(=O)C(C)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is WWTNAOAFBZDTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-13-5-3-4-6-15(13)19-16(22)14(2)20-8-10-21(11-9-20)17-18-7-12-23-17/h7,12-15H,3-6,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 336.51 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 42931500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).