ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C19H20FN5O3S — CID 146024739

About ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 146024739) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
• PubChem CID: 146024739
• Molecular Formula: C19H20FN5O3S
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.13
• IUPAC Name: ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
• SMILES: CCOC(=O)Nc1nc(CC(=O)N2CCCC2c2nc3ccc(F)cc3[nH]2)cs1
• InChI: InChI=1S/C19H20FN5O3S/c1-2-28-19(27)24-18-21-12(10-29-18)9-16(26)25-7-3-4-15(25)17-22-13-6-5-11(20)8-14(13)23-17/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,22,23)(H,21,24,27)
• InChIKey: DLRJOCAWHZDLTD-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?

The IUPAC name of ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 146024739) is ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

What is the SMILES notation for ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?

The canonical SMILES for ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(CC(=O)N2CCCC2c2nc3ccc(F)cc3[nH]2)cs1.

What is the InChIKey of ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?

The InChIKey is DLRJOCAWHZDLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c1-2-28-19(27)24-18-21-12(10-29-18)9-16(26)25-7-3-4-15(25)17-22-13-6-5-11(20)8-14(13)23-17/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,22,23)(H,21,24,27).

What are the key properties of ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?

ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 417.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 146024739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).