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

C14H21N3O2S — CID 30699391

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

N-[(2S)-5-methylhexan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 30699391) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[(2S)-5-methylhexan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-5-methylhexan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 30699391
• Molecular Formula: C14H21N3O2S
• Molecular Weight: 295.41 g/mol
• Exact Mass: 295.14
• IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CC(C)CC[C@H](C)NC(=O)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C14H21N3O2S/c1-9(2)4-5-10(3)16-12(18)11-8-15-14-17(13(11)19)6-7-20-14/h8-10H,4-7H2,1-3H3,(H,16,18)/t10-/m0/s1
• InChIKey: FDJIKQKXINSALP-JTQLQIEISA-N
• XLogP: 1.90
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.41
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-5-methylhexan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 30699391) is N-[(2S)-5-methylhexan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-[(2S)-5-methylhexan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)CC[C@H](C)NC(=O)c1cnc2n(c1=O)CCS2.

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

The InChIKey is FDJIKQKXINSALP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9(2)4-5-10(3)16-12(18)11-8-15-14-17(13(11)19)6-7-20-14/h8-10H,4-7H2,1-3H3,(H,16,18)/t10-/m0/s1.

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

N-[(2S)-5-methylhexan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-5-methylhexan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 30699391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).