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

C17H28N4OS — CID 30138516

IUPAC(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H28N4OS/c1-14(16(22)19-15-6-4-2-3-5-7-15)20-9-11-21(12-10-20)17-18-8-13-23-17/h8,13-15H,2-7,9-12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyBFFOZJIMFLWZAC-AWEZNQCLSA-N
MW336.51 g/mol
LogP2.49
Rot. Bonds4

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

(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 30138516) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
PubChem CID30138516
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H28N4OS/c1-14(16(22)19-15-6-4-2-3-5-7-15)20-9-11-21(12-10-20)17-18-8-13-23-17/h8,13-15H,2-7,9-12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyBFFOZJIMFLWZAC-AWEZNQCLSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 94796371
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 86919342
N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 51311966
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 55499702
(2S)-N-(2-chlorophenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 52507095
(2R)-N-(2,4-dimethylphenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 52503740
N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 84594920
1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea
CID 18152913
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (CID 30138516) is (2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is C[C@@H](C(=O)NC1CCCCCC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of (2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is BFFOZJIMFLWZAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-14(16(22)19-15-6-4-2-3-5-7-15)20-9-11-21(12-10-20)17-18-8-13-23-17/h8,13-15H,2-7,9-12H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 336.51 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 30138516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).