N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H18N4O3S — CID 94177772

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

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 94177772) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 94177772
• Molecular Formula: C15H18N4O3S
• Molecular Weight: 334.40 g/mol
• Exact Mass: 334.11
• IUPAC Name: N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CN(C)[C@@H](CNC(=O)c1cnc2n(c1=O)CCS2)c1ccco1
• InChI: InChI=1S/C15H18N4O3S/c1-18(2)11(12-4-3-6-22-12)9-16-13(20)10-8-17-15-19(14(10)21)5-7-23-15/h3-4,6,8,11H,5,7,9H2,1-2H3,(H,16,20)/t11-/m0/s1
• InChIKey: UAAOYZPLXGZSMV-NSHDSACASA-N
• XLogP: 0.97
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.40
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 94177772) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN(C)[C@@H](CNC(=O)c1cnc2n(c1=O)CCS2)c1ccco1.

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

The InChIKey is UAAOYZPLXGZSMV-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-18(2)11(12-4-3-6-22-12)9-16-13(20)10-8-17-15-19(14(10)21)5-7-23-15/h3-4,6,8,11H,5,7,9H2,1-2H3,(H,16,20)/t11-/m0/s1.

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

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 94177772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).