3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride

C16H19ClFN3O2S — CID 119690539

IUPAC3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(-c2csc(NC(=O)C3CCC(N)C3)n2)cc1F.Cl
InChIInChI=1S/C16H18FN3O2S.ClH/c1-22-14-5-3-9(7-12(14)17)13-8-23-16(19-13)20-15(21)10-2-4-11(18)6-10;/h3,5,7-8,10-11H,2,4,6,18H2,1H3,(H,19,20,21);1H
InChIKeyZLTQETKOAJKZJH-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.45
Rot. Bonds4

About 3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119690539) has the molecular formula C16H19ClFN3O2S and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119690539
Molecular FormulaC16H19ClFN3O2S
Molecular Weight371.87 g/mol
Exact Mass371.09
IUPAC Name3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(-c2csc(NC(=O)C3CCC(N)C3)n2)cc1F.Cl
InChIInChI=1S/C16H18FN3O2S.ClH/c1-22-14-5-3-9(7-12(14)17)13-8-23-16(19-13)20-15(21)10-2-4-11(18)6-10;/h3,5,7-8,10-11H,2,4,6,18H2,1H3,(H,19,20,21);1H
InChIKeyZLTQETKOAJKZJH-UHFFFAOYSA-N
XLogP3.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119690541
3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119679929
3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119679930
3-amino-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119711312
1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119271809
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820
N-[3-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173855
1-(2,4-difluorophenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 46404189
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 3590296
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55414535
3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119713315
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46668396

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119690539) is 3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride is COc1ccc(-c2csc(NC(=O)C3CCC(N)C3)n2)cc1F.Cl.
What is the InChIKey of 3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is ZLTQETKOAJKZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S.ClH/c1-22-14-5-3-9(7-12(14)17)13-8-23-16(19-13)20-15(21)10-2-4-11(18)6-10;/h3,5,7-8,10-11H,2,4,6,18H2,1H3,(H,19,20,21);1H.
What are the key properties of 3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119690539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).