ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

C20H21N5O4S — CID 90527787

About ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 90527787) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
• PubChem CID: 90527787
• Molecular Formula: C20H21N5O4S
• Molecular Weight: 427.49 g/mol
• Exact Mass: 427.13
• IUPAC Name: ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
• SMILES: CCOC(=O)Nc1nc2c(s1)CN(C(=O)c1cc(-c3cccc(OC)c3)n[nH]1)CC2
• InChI: InChI=1S/C20H21N5O4S/c1-3-29-20(27)22-19-21-14-7-8-25(11-17(14)30-19)18(26)16-10-15(23-24-16)12-5-4-6-13(9-12)28-2/h4-6,9-10H,3,7-8,11H2,1-2H3,(H,23,24)(H,21,22,27)
• InChIKey: STCFQXMHHYKGFH-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 109.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.49
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 90527787) is ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

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

The canonical SMILES for ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2c(s1)CN(C(=O)c1cc(-c3cccc(OC)c3)n[nH]1)CC2.

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

The InChIKey is STCFQXMHHYKGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-3-29-20(27)22-19-21-14-7-8-25(11-17(14)30-19)18(26)16-10-15(23-24-16)12-5-4-6-13(9-12)28-2/h4-6,9-10H,3,7-8,11H2,1-2H3,(H,23,24)(H,21,22,27).

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

ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 427.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 90527787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).