N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine

C12H14N2OS — CID 116811972

IUPACN-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C12H14N2OS/c1-3-13-12-14-8-11(16-12)9-4-6-10(15-2)7-5-9/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyFFXXXCHTNLVMRP-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.25
Rot. Bonds4

About N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine

N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 116811972) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID116811972
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C12H14N2OS/c1-3-13-12-14-8-11(16-12)9-4-6-10(15-2)7-5-9/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyFFXXXCHTNLVMRP-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 857446
5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine
CID 116812196
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785062
5-(3,5-dichlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116812059
2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole
CID 21408740
5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 86765274
2-[[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine
CID 53272462
3-[3-[3-[2-(ethylamino)-1,3-thiazol-5-yl]-2-pyridinyl]-2-methylphenyl]-5-[2-(4-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-3-ium-2-amine
CID 123314834
5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812351
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 166892998
5-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 14531637
[5-(4-methoxyphenyl)thiophen-2-yl]-trimethylsilane
CID 135013894

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 116811972) is N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine is CCNc1ncc(-c2ccc(OC)cc2)s1.
What is the InChIKey of N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is FFXXXCHTNLVMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-13-12-14-8-11(16-12)9-4-6-10(15-2)7-5-9/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 234.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116811972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).