2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride

C17H21ClFN3O2S — CID 120988733

IUPAC2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1.Cl
InChIInChI=1S/C17H20FN3O2S.ClH/c1-23-9-13(19)16(22)21-17-20-15(11-4-5-11)14(24-17)8-10-2-6-12(18)7-3-10;/h2-3,6-7,11,13H,4-5,8-9,19H2,1H3,(H,20,21,22);1H
InChIKeyPUEBBWVGFJVQCI-UHFFFAOYSA-N
MW385.89 g/mol
LogP3.08
Rot. Bonds7

About 2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride

2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride (PubChem CID 120988733) has the molecular formula C17H21ClFN3O2S and a molecular weight of 385.89 g/mol. Its IUPAC name is 2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
PubChem CID120988733
Molecular FormulaC17H21ClFN3O2S
Molecular Weight385.89 g/mol
Exact Mass385.10
IUPAC Name2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1.Cl
InChIInChI=1S/C17H20FN3O2S.ClH/c1-23-9-13(19)16(22)21-17-20-15(11-4-5-11)14(24-17)8-10-2-6-12(18)7-3-10;/h2-3,6-7,11,13H,4-5,8-9,19H2,1H3,(H,20,21,22);1H
InChIKeyPUEBBWVGFJVQCI-UHFFFAOYSA-N
XLogP3.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119771523
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120986644
2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 81081342
2-amino-3-methoxy-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 120987782
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120987384
methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 120987195
2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120985647
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062848
2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 120984258
(2S,5R)-5-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120788684
(4S)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 97067107
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride (CID 120988733) is 2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1.Cl.
What is the InChIKey of 2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride?
The InChIKey is PUEBBWVGFJVQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S.ClH/c1-23-9-13(19)16(22)21-17-20-15(11-4-5-11)14(24-17)8-10-2-6-12(18)7-3-10;/h2-3,6-7,11,13H,4-5,8-9,19H2,1H3,(H,20,21,22);1H.
What are the key properties of 2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120988733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).