2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride

C14H17ClFN3O2S — CID 120985647

IUPAC2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ncc(Cc2cccc(F)c2)s1.Cl
InChIInChI=1S/C14H16FN3O2S.ClH/c1-20-8-12(16)13(19)18-14-17-7-11(21-14)6-9-3-2-4-10(15)5-9;/h2-5,7,12H,6,8,16H2,1H3,(H,17,18,19);1H
InChIKeyPERYSHODTRKKFQ-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.21
Rot. Bonds6

About 2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride

2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride (PubChem CID 120985647) has the molecular formula C14H17ClFN3O2S and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
PubChem CID120985647
Molecular FormulaC14H17ClFN3O2S
Molecular Weight345.83 g/mol
Exact Mass345.07
IUPAC Name2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ncc(Cc2cccc(F)c2)s1.Cl
InChIInChI=1S/C14H16FN3O2S.ClH/c1-20-8-12(16)13(19)18-14-17-7-11(21-14)6-9-3-2-4-10(15)5-9;/h2-5,7,12H,6,8,16H2,1H3,(H,17,18,19);1H
InChIKeyPERYSHODTRKKFQ-UHFFFAOYSA-N
XLogP2.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
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N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride (CID 120985647) is 2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)Nc1ncc(Cc2cccc(F)c2)s1.Cl.
What is the InChIKey of 2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride?
The InChIKey is PERYSHODTRKKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S.ClH/c1-20-8-12(16)13(19)18-14-17-7-11(21-14)6-9-3-2-4-10(15)5-9;/h2-5,7,12H,6,8,16H2,1H3,(H,17,18,19);1H.
What are the key properties of 2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120985647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).