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

C14H17N3O3S — CID 64555667

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc(C(C)N)cs1
InChIInChI=1S/C14H17N3O3S/c1-8(15)9-7-21-14(16-9)17-13(18)12-10(19-2)5-4-6-11(12)20-3/h4-8H,15H2,1-3H3,(H,16,17,18)
InChIKeyXDFIGUSXRMDEHZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.43
Rot. Bonds5

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

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide (PubChem CID 64555667) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
PubChem CID64555667
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc(C(C)N)cs1
InChIInChI=1S/C14H17N3O3S/c1-8(15)9-7-21-14(16-9)17-13(18)12-10(19-2)5-4-6-11(12)20-3/h4-8H,15H2,1-3H3,(H,16,17,18)
InChIKeyXDFIGUSXRMDEHZ-UHFFFAOYSA-N
XLogP2.43
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide
CID 65432061
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
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
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-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
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64556459
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide
CID 64557841
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 64556257

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide (CID 64555667) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1nc(C(C)N)cs1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
The InChIKey is XDFIGUSXRMDEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8(15)9-7-21-14(16-9)17-13(18)12-10(19-2)5-4-6-11(12)20-3/h4-8H,15H2,1-3H3,(H,16,17,18).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide has a molecular weight of 307.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 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]-2,6-dimethoxybenzamide is sourced from PubChem (CID 64555667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).