N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide

C14H17N3O2S — CID 64556459

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(C(C)N)cs2)cc1
InChIInChI=1S/C14H17N3O2S/c1-9(15)12-8-20-14(16-12)17-13(18)7-10-3-5-11(19-2)6-4-10/h3-6,8-9H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyUMNXSVJGHXTLMF-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.35
Rot. Bonds5

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 64556459) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID64556459
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(C(C)N)cs2)cc1
InChIInChI=1S/C14H17N3O2S/c1-9(15)12-8-20-14(16-12)17-13(18)7-10-3-5-11(19-2)6-4-10/h3-6,8-9H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyUMNXSVJGHXTLMF-UHFFFAOYSA-N
XLogP2.35
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64545259
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 82176337
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
CID 64555479
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 32865071
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 64556710
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide
CID 64556265
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
2-(6-methoxy-1-benzofuran-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 24509636

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide (CID 64556459) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nc(C(C)N)cs2)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is UMNXSVJGHXTLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(15)12-8-20-14(16-12)17-13(18)7-10-3-5-11(19-2)6-4-10/h3-6,8-9H,7,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.35, 5 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 64556459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).