N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol

C50H41N7O2S4 — CID 159746834

About N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol

N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol (PubChem CID 159746834) has the molecular formula C50H41N7O2S4 and a molecular weight of 900.19 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol.

Molecular Properties

• Compound Name: N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol
• PubChem CID: 159746834
• Molecular Formula: C50H41N7O2S4
• Molecular Weight: 900.19 g/mol
• Exact Mass: 899.22
• IUPAC Name: N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol
• SMILES: CN(C)c1ccc(-c2cnc(-c3ccccn3)s2)cc1.COc1ccc(-c2ccc(-c3cnc(-c4ccccn4)s3)s2)cc1.OCc1ccc(-c2cnc(-c3ccccn3)s2)cc1
• InChI: InChI=1S/C19H14N2OS2.C16H15N3S.C15H12N2OS/c1-22-14-7-5-13(6-8-14)16-9-10-17(23-16)18-12-21-19(24-18)15-4-2-3-11-20-15;1-19(2)13-8-6-12(7-9-13)15-11-18-16(20-15)14-5-3-4-10-17-14;18-10-11-4-6-12(7-5-11)14-9-17-15(19-14)13-3-1-2-8-16-13/h2-12H,1H3;3-11H,1-2H3;1-9,18H,10H2
• InChIKey: NDDIZXLBGSTHIP-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 110.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	900.19
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol?

The IUPAC name of N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol (CID 159746834) is N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol.

What is the SMILES notation for N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol?

The canonical SMILES for N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol is CN(C)c1ccc(-c2cnc(-c3ccccn3)s2)cc1.COc1ccc(-c2ccc(-c3cnc(-c4ccccn4)s3)s2)cc1.OCc1ccc(-c2cnc(-c3ccccn3)s2)cc1.

What is the InChIKey of N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol?

The InChIKey is NDDIZXLBGSTHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS2.C16H15N3S.C15H12N2OS/c1-22-14-7-5-13(6-8-14)16-9-10-17(23-16)18-12-21-19(24-18)15-4-2-3-11-20-15;1-19(2)13-8-6-12(7-9-13)15-11-18-16(20-15)14-5-3-4-10-17-14;18-10-11-4-6-12(7-5-11)14-9-17-15(19-14)13-3-1-2-8-16-13/h2-12H,1H3;3-11H,1-2H3;1-9,18H,10H2.

What are the key properties of N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol?

N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol has a molecular weight of 900.19 g/mol, XLogP of 12.91, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;[4-(2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]methanol is sourced from PubChem (CID 159746834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).