2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide

C16H18FN3OS — CID 119822782

About 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide

2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide (PubChem CID 119822782) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
• PubChem CID: 119822782
• Molecular Formula: C16H18FN3OS
• Molecular Weight: 319.40 g/mol
• Exact Mass: 319.12
• IUPAC Name: 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
• SMILES: O=C(CNCC1CC1)/N=c1\sccn1Cc1ccccc1F
• InChI: InChI=1S/C16H18FN3OS/c17-14-4-2-1-3-13(14)11-20-7-8-22-16(20)19-15(21)10-18-9-12-5-6-12/h1-4,7-8,12,18H,5-6,9-11H2/b19-16-
• InChIKey: YFQAERBAZAZVJF-MNDPQUGUSA-N
• XLogP: 2.16
• TPSA: 46.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.40
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide (CID 119822782) is 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide.

What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide is O=C(CNCC1CC1)/N=c1\sccn1Cc1ccccc1F.

What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

The InChIKey is YFQAERBAZAZVJF-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H18FN3OS/c17-14-4-2-1-3-13(14)11-20-7-8-22-16(20)19-15(21)10-18-9-12-5-6-12/h1-4,7-8,12,18H,5-6,9-11H2/b19-16-.

What are the key properties of 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide has a molecular weight of 319.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide is sourced from PubChem (CID 119822782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).