N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide

C16H28N4OS+2 — CID 7437002

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide
SMILESCc1csc(NC(=O)C[NH+]2CCC([NH+]3CCCCC3)CC2)n1
InChIInChI=1S/C16H26N4OS/c1-13-12-22-16(17-13)18-15(21)11-19-9-5-14(6-10-19)20-7-3-2-4-8-20/h12,14H,2-11H2,1H3,(H,17,18,21)/p+2
InChIKeyDIHKZTPWQKUFKX-UHFFFAOYSA-P
MW324.49 g/mol
LogP-0.49
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide (PubChem CID 7437002) has the molecular formula C16H28N4OS+2 and a molecular weight of 324.49 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide
PubChem CID7437002
Molecular FormulaC16H28N4OS+2
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide
SMILESCc1csc(NC(=O)C[NH+]2CCC([NH+]3CCCCC3)CC2)n1
InChIInChI=1S/C16H26N4OS/c1-13-12-22-16(17-13)18-15(21)11-19-9-5-14(6-10-19)20-7-3-2-4-8-20/h12,14H,2-11H2,1H3,(H,17,18,21)/p+2
InChIKeyDIHKZTPWQKUFKX-UHFFFAOYSA-P
XLogP-0.49
TPSA50.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide 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

2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813891
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299980
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 102683011
N-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-2-yl)acetamide
CID 110678002
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997302
3,5-dichloro-N-cyclohexyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4291757
2-(1-methylpiperidin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110754699
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide (CID 7437002) is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide is Cc1csc(NC(=O)C[NH+]2CCC([NH+]3CCCCC3)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is DIHKZTPWQKUFKX-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H26N4OS/c1-13-12-22-16(17-13)18-15(21)11-19-9-5-14(6-10-19)20-7-3-2-4-8-20/h12,14H,2-11H2,1H3,(H,17,18,21)/p+2.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 324.49 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 7437002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).