N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

C19H17FN4S2 — CID 25295196

About N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 25295196) has the molecular formula C19H17FN4S2 and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
• PubChem CID: 25295196
• Molecular Formula: C19H17FN4S2
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.09
• IUPAC Name: N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
• SMILES: Cc1nc(NCc2cccc(F)c2)sc1-c1ccn(Cc2ccsc2)n1
• InChI: InChI=1S/C19H17FN4S2/c1-13-18(17-5-7-24(23-17)11-15-6-8-25-12-15)26-19(22-13)21-10-14-3-2-4-16(20)9-14/h2-9,12H,10-11H2,1H3,(H,21,22)
• InChIKey: WXHATJMTJRWQAZ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?

The IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (CID 25295196) is N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?

The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(NCc2cccc(F)c2)sc1-c1ccn(Cc2ccsc2)n1.

What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?

The InChIKey is WXHATJMTJRWQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4S2/c1-13-18(17-5-7-24(23-17)11-15-6-8-25-12-15)26-19(22-13)21-10-14-3-2-4-16(20)9-14/h2-9,12H,10-11H2,1H3,(H,21,22).

What are the key properties of N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?

N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 384.51 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 25295196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).