N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide

C23H23N5O2S2 — CID 38991853

About N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide

N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 38991853) has the molecular formula C23H23N5O2S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
• PubChem CID: 38991853
• Molecular Formula: C23H23N5O2S2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.13
• IUPAC Name: N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
• SMILES: CCNc1nc(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)nc2ccccc12
• InChI: InChI=1S/C23H23N5O2S2/c1-4-24-21-17-9-5-6-10-18(17)26-22(27-21)31-13-16-14-32-23(25-16)28(15(2)29)19-11-7-8-12-20(19)30-3/h5-12,14H,4,13H2,1-3H3,(H,24,26,27)
• InChIKey: AUZHUQWUDVHXIU-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?

The IUPAC name of N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide (CID 38991853) is N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide.

What is the SMILES notation for N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?

The canonical SMILES for N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide is CCNc1nc(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)nc2ccccc12.

What is the InChIKey of N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?

The InChIKey is AUZHUQWUDVHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S2/c1-4-24-21-17-9-5-6-10-18(17)26-22(27-21)31-13-16-14-32-23(25-16)28(15(2)29)19-11-7-8-12-20(19)30-3/h5-12,14H,4,13H2,1-3H3,(H,24,26,27).

What are the key properties of N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?

N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 465.60 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 38991853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).