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

C16H19ClFN3O2S — CID 119271809

IUPAC1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(-c2csc(NC(=O)C3(N)CCCC3)n2)cc1F.Cl
InChIInChI=1S/C16H18FN3O2S.ClH/c1-22-13-5-4-10(8-11(13)17)12-9-23-15(19-12)20-14(21)16(18)6-2-3-7-16;/h4-5,8-9H,2-3,6-7,18H2,1H3,(H,19,20,21);1H
InChIKeyTYOVCHHKPNRHBJ-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.59
Rot. Bonds4

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

1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119271809) has the molecular formula C16H19ClFN3O2S and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119271809
Molecular FormulaC16H19ClFN3O2S
Molecular Weight371.87 g/mol
Exact Mass371.09
IUPAC Name1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(-c2csc(NC(=O)C3(N)CCCC3)n2)cc1F.Cl
InChIInChI=1S/C16H18FN3O2S.ClH/c1-22-13-5-4-10(8-11(13)17)12-9-23-15(19-12)20-14(21)16(18)6-2-3-7-16;/h4-5,8-9H,2-3,6-7,18H2,1H3,(H,19,20,21);1H
InChIKeyTYOVCHHKPNRHBJ-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119273536
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CID 119266416
3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119690539
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 8511397
1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119264950
1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119264941
3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119690541
3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55550029
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 7583048
N-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methoxybenzamide
CID 54860548
2-(4-chlorophenoxy)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119271809) is 1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride is COc1ccc(-c2csc(NC(=O)C3(N)CCCC3)n2)cc1F.Cl.
What is the InChIKey of 1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is TYOVCHHKPNRHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S.ClH/c1-22-13-5-4-10(8-11(13)17)12-9-23-15(19-12)20-14(21)16(18)6-2-3-7-16;/h4-5,8-9H,2-3,6-7,18H2,1H3,(H,19,20,21);1H.
What are the key properties of 1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
1-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 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119271809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).