N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine

C13H16N2OS — CID 79046617

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CC(C)Nc2nccs2)cc1
InChIInChI=1S/C13H16N2OS/c1-10(15-13-14-7-8-17-13)9-11-3-5-12(16-2)6-4-11/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeyWHRXQJLHDMVGHK-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.19
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine

N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine (PubChem CID 79046617) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine
PubChem CID79046617
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CC(C)Nc2nccs2)cc1
InChIInChI=1S/C13H16N2OS/c1-10(15-13-14-7-8-17-13)9-11-3-5-12(16-2)6-4-11/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeyWHRXQJLHDMVGHK-UHFFFAOYSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine
CID 78978381
N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 43079498
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine
CID 61166762
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
N-[1-(4-methoxyphenyl)propan-2-yl]pyridin-3-amine
CID 43508676
2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 57476546
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900
N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 112731172
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812
N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 177016308
5-N-[1-(4-methoxyphenyl)propan-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690659

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine (CID 79046617) is N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine is COc1ccc(CC(C)Nc2nccs2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine?
The InChIKey is WHRXQJLHDMVGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(15-13-14-7-8-17-13)9-11-3-5-12(16-2)6-4-11/h3-8,10H,9H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine?
N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79046617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).