3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide

C21H37N5OS — CID 45239292

IUPAC3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(Cc2cnc(N(C)C)s2)CC1
InChIInChI=1S/C21H37N5OS/c1-4-26-11-5-6-18(26)14-22-20(27)8-7-17-9-12-25(13-10-17)16-19-15-23-21(28-19)24(2)3/h15,17-18H,4-14,16H2,1-3H3,(H,22,27)
InChIKeyNHFGJZCBKVARLN-UHFFFAOYSA-N
MW407.63 g/mol
LogP2.80
Rot. Bonds9

About 3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide

3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide (PubChem CID 45239292) has the molecular formula C21H37N5OS and a molecular weight of 407.63 g/mol. Its IUPAC name is 3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
PubChem CID45239292
Molecular FormulaC21H37N5OS
Molecular Weight407.63 g/mol
Exact Mass407.27
IUPAC Name3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(Cc2cnc(N(C)C)s2)CC1
InChIInChI=1S/C21H37N5OS/c1-4-26-11-5-6-18(26)14-22-20(27)8-7-17-9-12-25(13-10-17)16-19-15-23-21(28-19)24(2)3/h15,17-18H,4-14,16H2,1-3H3,(H,22,27)
InChIKeyNHFGJZCBKVARLN-UHFFFAOYSA-N
XLogP2.80
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.63
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of 3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide (CID 45239292) is 3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(Cc2cnc(N(C)C)s2)CC1.
What is the InChIKey of 3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The InChIKey is NHFGJZCBKVARLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5OS/c1-4-26-11-5-6-18(26)14-22-20(27)8-7-17-9-12-25(13-10-17)16-19-15-23-21(28-19)24(2)3/h15,17-18H,4-14,16H2,1-3H3,(H,22,27).
What are the key properties of 3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide has a molecular weight of 407.63 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 45239292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).