N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide

C13H14FN3O2S — CID 65432061

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1nc(C(C)N)cs1
InChIInChI=1S/C13H14FN3O2S/c1-7(15)9-6-20-13(16-9)17-12(18)11-8(14)4-3-5-10(11)19-2/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeyHJSKVIKYNDNMJU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.56
Rot. Bonds4

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide (PubChem CID 65432061) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide
PubChem CID65432061
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1nc(C(C)N)cs1
InChIInChI=1S/C13H14FN3O2S/c1-7(15)9-6-20-13(16-9)17-12(18)11-8(14)4-3-5-10(11)19-2/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeyHJSKVIKYNDNMJU-UHFFFAOYSA-N
XLogP2.56
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-3-methylbenzamide
CID 81482142
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-fluoro-2-hydroxybenzamide
CID 107014642
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
CID 64555479
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151582

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide (CID 65432061) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)Nc1nc(C(C)N)cs1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide?
The InChIKey is HJSKVIKYNDNMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-7(15)9-6-20-13(16-9)17-12(18)11-8(14)4-3-5-10(11)19-2/h3-7H,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide has a molecular weight of 295.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65432061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).