N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide

C15H19N3O2S — CID 60982787

IUPACN-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide
SMILESCCc1ncc(CNc2cc(NC(C)=O)ccc2OC)s1
InChIInChI=1S/C15H19N3O2S/c1-4-15-17-9-12(21-15)8-16-13-7-11(18-10(2)19)5-6-14(13)20-3/h5-7,9,16H,4,8H2,1-3H3,(H,18,19)
InChIKeyBGLROLFYJYRKPM-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.28
Rot. Bonds6

About N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide

N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide (PubChem CID 60982787) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide
PubChem CID60982787
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide
SMILESCCc1ncc(CNc2cc(NC(C)=O)ccc2OC)s1
InChIInChI=1S/C15H19N3O2S/c1-4-15-17-9-12(21-15)8-16-13-7-11(18-10(2)19)5-6-14(13)20-3/h5-7,9,16H,4,8H2,1-3H3,(H,18,19)
InChIKeyBGLROLFYJYRKPM-UHFFFAOYSA-N
XLogP3.28
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxybenzoic acid
CID 63742291
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-5-nitroaniline
CID 60983021
N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715753
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-4-nitroaniline
CID 60982910
N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
CID 43715781
1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea
CID 60983648
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715745
methyl 4-chloro-3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 60982784
2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883651
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline
CID 113268236
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide (CID 60982787) is N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide is CCc1ncc(CNc2cc(NC(C)=O)ccc2OC)s1.
What is the InChIKey of N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide?
The InChIKey is BGLROLFYJYRKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-15-17-9-12(21-15)8-16-13-7-11(18-10(2)19)5-6-14(13)20-3/h5-7,9,16H,4,8H2,1-3H3,(H,18,19).
What are the key properties of N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide?
N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide has a molecular weight of 305.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 60982787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).