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

C19H16F2N4S2 — CID 26336699

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

N-[(3,4-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 26336699) has the molecular formula C19H16F2N4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[(3,4-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
• PubChem CID: 26336699
• Molecular Formula: C19H16F2N4S2
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.08
• IUPAC Name: N-[(3,4-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
• SMILES: Cc1nc(NCc2ccc(F)c(F)c2)sc1-c1ccn(Cc2ccsc2)n1
• InChI: InChI=1S/C19H16F2N4S2/c1-12-18(17-4-6-25(24-17)10-14-5-7-26-11-14)27-19(23-12)22-9-13-2-3-15(20)16(21)8-13/h2-8,11H,9-10H2,1H3,(H,22,23)
• InChIKey: SRACYPQXKKHBCX-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (CID 26336699) is N-[(3,4-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

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

The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(NCc2ccc(F)c(F)c2)sc1-c1ccn(Cc2ccsc2)n1.

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

The InChIKey is SRACYPQXKKHBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4S2/c1-12-18(17-4-6-25(24-17)10-14-5-7-26-11-14)27-19(23-12)22-9-13-2-3-15(20)16(21)8-13/h2-8,11H,9-10H2,1H3,(H,22,23).

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

N-[(3,4-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 402.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 26336699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).