benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate

C18H22N4O3S — CID 18278826

About benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 18278826) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate
• PubChem CID: 18278826
• Molecular Formula: C18H22N4O3S
• Molecular Weight: 374.47 g/mol
• Exact Mass: 374.14
• IUPAC Name: benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate
• SMILES: C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2c(s1)CN(C)CC2
• InChI: InChI=1S/C18H22N4O3S/c1-12(19-18(24)25-11-13-6-4-3-5-7-13)16(23)21-17-20-14-8-9-22(2)10-15(14)26-17/h3-7,12H,8-11H2,1-2H3,(H,19,24)(H,20,21,23)/t12-/m0/s1
• InChIKey: JBEHCSSATWMTAZ-LBPRGKRZSA-N
• XLogP: 2.38
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.47
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate?

The IUPAC name of benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate (CID 18278826) is benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate?

The canonical SMILES for benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2c(s1)CN(C)CC2.

What is the InChIKey of benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate?

The InChIKey is JBEHCSSATWMTAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12(19-18(24)25-11-13-6-4-3-5-7-13)16(23)21-17-20-14-8-9-22(2)10-15(14)26-17/h3-7,12H,8-11H2,1-2H3,(H,19,24)(H,20,21,23)/t12-/m0/s1.

What are the key properties of benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate?

benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 374.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 18278826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).