2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide

C17H21N3OS — CID 119264633

About 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide

2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 119264633) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 119264633
• Molecular Formula: C17H21N3OS
• Molecular Weight: 315.44 g/mol
• Exact Mass: 315.14
• IUPAC Name: 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
• SMILES: CC(C)(N)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
• InChI: InChI=1S/C17H21N3OS/c1-17(2,18)15(21)20-16-19-14(10-22-16)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,3-6,18H2,1-2H3,(H,19,20,21)
• InChIKey: VUUFOFZBAHROMC-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.44
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide (CID 119264633) is 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide is CC(C)(N)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.

What is the InChIKey of 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is VUUFOFZBAHROMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-17(2,18)15(21)20-16-19-14(10-22-16)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,3-6,18H2,1-2H3,(H,19,20,21).

What are the key properties of 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide?

2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 315.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 119264633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).