N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H18N4O2S — CID 24655107

About N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 24655107) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 24655107
• Molecular Formula: C16H18N4O2S
• Molecular Weight: 330.41 g/mol
• Exact Mass: 330.12
• IUPAC Name: N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CN(CCNC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1
• InChI: InChI=1S/C16H18N4O2S/c1-19(12-5-3-2-4-6-12)8-7-17-14(21)13-11-18-16-20(15(13)22)9-10-23-16/h2-6,11H,7-10H2,1H3,(H,17,21)
• InChIKey: VCJQAVFPGCOZBS-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.41
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 24655107) is N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN(CCNC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1.

What is the InChIKey of N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is VCJQAVFPGCOZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-19(12-5-3-2-4-6-12)8-7-17-14(21)13-11-18-16-20(15(13)22)9-10-23-16/h2-6,11H,7-10H2,1H3,(H,17,21).

What are the key properties of N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24655107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).