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

C15H15Cl2N3O2S — CID 90529099

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

methyl N-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 90529099) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is methyl N-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
• PubChem CID: 90529099
• Molecular Formula: C15H15Cl2N3O2S
• Molecular Weight: 372.28 g/mol
• Exact Mass: 371.03
• IUPAC Name: methyl N-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
• SMILES: COC(=O)Nc1nc2c(s1)CN(Cc1ccc(Cl)cc1Cl)CC2
• InChI: InChI=1S/C15H15Cl2N3O2S/c1-22-15(21)19-14-18-12-4-5-20(8-13(12)23-14)7-9-2-3-10(16)6-11(9)17/h2-3,6H,4-5,7-8H2,1H3,(H,18,19,21)
• InChIKey: PLSNMSXDIRZZRI-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.28
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of methyl N-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 90529099) is methyl N-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

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

The canonical SMILES for methyl N-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is COC(=O)Nc1nc2c(s1)CN(Cc1ccc(Cl)cc1Cl)CC2.

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

The InChIKey is PLSNMSXDIRZZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c1-22-15(21)19-14-18-12-4-5-20(8-13(12)23-14)7-9-2-3-10(16)6-11(9)17/h2-3,6H,4-5,7-8H2,1H3,(H,18,19,21).

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

methyl N-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 372.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 90529099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).