3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride

C16H18ClF2N3OS — CID 119702612

About 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119702612) has the molecular formula C16H18ClF2N3OS and a molecular weight of 373.86 g/mol. Its IUPAC name is 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
• PubChem CID: 119702612
• Molecular Formula: C16H18ClF2N3OS
• Molecular Weight: 373.86 g/mol
• Exact Mass: 373.08
• IUPAC Name: 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
• SMILES: Cl.NC1CCC(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)C1
• InChI: InChI=1S/C16H17F2N3OS.ClH/c17-13-4-1-9(6-14(13)18)5-12-8-20-16(23-12)21-15(22)10-2-3-11(19)7-10;/h1,4,6,8,10-11H,2-3,5,7,19H2,(H,20,21,22);1H
• InChIKey: JUGBACRZMRLVSE-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.86
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?

The IUPAC name of 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119702612) is 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride.

What is the SMILES notation for 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?

The canonical SMILES for 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)C1.

What is the InChIKey of 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?

The InChIKey is JUGBACRZMRLVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS.ClH/c17-13-4-1-9(6-14(13)18)5-12-8-20-16(23-12)21-15(22)10-2-3-11(19)7-10;/h1,4,6,8,10-11H,2-3,5,7,19H2,(H,20,21,22);1H.

What are the key properties of 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?

3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119702612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).