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

C18H23N5O2S — CID 653909

IUPAC2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)NC2CCN(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)
InChIKeyXQFOFNCCHJZQNA-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.68
Rot. Bonds5

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

2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 653909) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID653909
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)NC2CCN(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)
InChIKeyXQFOFNCCHJZQNA-UHFFFAOYSA-N
XLogP2.68
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 653909) is 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(NC(=O)NC2CCN(CC(=O)Nc3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XQFOFNCCHJZQNA-UHFFFAOYSA-N. 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).
What are the key properties of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 653909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).