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

C13H15N3O3S — CID 64555479

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C(C)N)cs2)c(O)c1
InChIInChI=1S/C13H15N3O3S/c1-7(14)10-6-20-13(15-10)16-12(18)9-4-3-8(19-2)5-11(9)17/h3-7,17H,14H2,1-2H3,(H,15,16,18)
InChIKeySMBHBVNZRQDGKB-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.13
Rot. Bonds4

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

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide (PubChem CID 64555479) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
PubChem CID64555479
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C(C)N)cs2)c(O)c1
InChIInChI=1S/C13H15N3O3S/c1-7(14)10-6-20-13(15-10)16-12(18)9-4-3-8(19-2)5-11(9)17/h3-7,17H,14H2,1-2H3,(H,15,16,18)
InChIKeySMBHBVNZRQDGKB-UHFFFAOYSA-N
XLogP2.13
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-bromo-2-hydroxybenzamide
CID 64557640
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-fluoro-2-hydroxybenzamide
CID 107014642
2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 80504154
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64556459
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-3-methylbenzamide
CID 81482142
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide
CID 65432061
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide (CID 64555479) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(C(C)N)cs2)c(O)c1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is SMBHBVNZRQDGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7(14)10-6-20-13(15-10)16-12(18)9-4-3-8(19-2)5-11(9)17/h3-7,17H,14H2,1-2H3,(H,15,16,18).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 293.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 64555479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).