2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C18H24N5O2S+ — CID 7216151

IUPAC2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)NC2CC[NH+](CC(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C18H23N5O2S/c1-13-2-4-14(5-3-13)20-17(25)21-15-6-9-23(10-7-15)12-16(24)22-18-19-8-11-26-18/h2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,19,22,24)(H2,20,21,25)/p+1
InChIKeyXQFOFNCCHJZQNA-UHFFFAOYSA-O
MW374.49 g/mol
LogP1.26
Rot. Bonds5

About 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 7216151) has the molecular formula C18H24N5O2S+ and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID7216151
Molecular FormulaC18H24N5O2S+
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC Name2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)NC2CC[NH+](CC(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C18H23N5O2S/c1-13-2-4-14(5-3-13)20-17(25)21-15-6-9-23(10-7-15)12-16(24)22-18-19-8-11-26-18/h2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,19,22,24)(H2,20,21,25)/p+1
InChIKeyXQFOFNCCHJZQNA-UHFFFAOYSA-O
XLogP1.26
TPSA87.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 41158668
2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 4118384
3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 3360547
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134036

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 7216151) is 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(NC(=O)NC2CC[NH+](CC(=O)Nc3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XQFOFNCCHJZQNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N5O2S/c1-13-2-4-14(5-3-13)20-17(25)21-15-6-9-23(10-7-15)12-16(24)22-18-19-8-11-26-18/h2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,19,22,24)(H2,20,21,25)/p+1.
What are the key properties of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7216151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).