4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

C19H25N5O2S — CID 24586641

About 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 24586641) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 24586641
• Molecular Formula: C19H25N5O2S
• Molecular Weight: 387.51 g/mol
• Exact Mass: 387.17
• IUPAC Name: 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
• SMILES: CC1CCCN(Cc2csc(NC(=O)c3ccc(CNC(N)=O)cc3)n2)C1
• InChI: InChI=1S/C19H25N5O2S/c1-13-3-2-8-24(10-13)11-16-12-27-19(22-16)23-17(25)15-6-4-14(5-7-15)9-21-18(20)26/h4-7,12-13H,2-3,8-11H2,1H3,(H3,20,21,26)(H,22,23,25)
• InChIKey: ADKWIIBIWQMODM-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 100.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.51
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (CID 24586641) is 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is CC1CCCN(Cc2csc(NC(=O)c3ccc(CNC(N)=O)cc3)n2)C1.

What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is ADKWIIBIWQMODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-13-3-2-8-24(10-13)11-16-12-27-19(22-16)23-17(25)15-6-4-14(5-7-15)9-21-18(20)26/h4-7,12-13H,2-3,8-11H2,1H3,(H3,20,21,26)(H,22,23,25).

What are the key properties of 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24586641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).