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

C12H14N2OS — CID 828523

IUPAC5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCCc1sc(N)nc1-c1ccc(OC)cc1
InChIInChI=1S/C12H14N2OS/c1-3-10-11(14-12(13)16-10)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyQHRCVGXBBIRPTE-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.96
Rot. Bonds3

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

5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 828523) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID828523
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCCc1sc(N)nc1-c1ccc(OC)cc1
InChIInChI=1S/C12H14N2OS/c1-3-10-11(14-12(13)16-10)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyQHRCVGXBBIRPTE-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Itazigrel
CID 51087
2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4H-chromeno(4,3-d)(1,3)thiazol-2-amine
CID 1112324
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 2758374
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 613228
6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
CID 10292899
8-Methoxy-4,5-dihydro-naphtho[1,2-d]thiazol-2-yl-amine
CID 739121
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 828523) is 5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is CCc1sc(N)nc1-c1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is QHRCVGXBBIRPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-10-11(14-12(13)16-10)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3,(H2,13,14).
What are the key properties of 5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 234.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 828523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).