N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine

C12H14N2OS — CID 677157

IUPACN-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine
SMILESCCOc1ccc(Nc2cnc(C)s2)cc1
InChIInChI=1S/C12H14N2OS/c1-3-15-11-6-4-10(5-7-11)14-12-8-13-9(2)16-12/h4-8,14H,3H2,1-2H3
InChIKeyYFGUHFJASGRORO-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.59
Rot. Bonds4

About N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine

N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine (PubChem CID 677157) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine
PubChem CID677157
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine
SMILESCCOc1ccc(Nc2cnc(C)s2)cc1
InChIInChI=1S/C12H14N2OS/c1-3-15-11-6-4-10(5-7-11)14-12-8-13-9(2)16-12/h4-8,14H,3H2,1-2H3
InChIKeyYFGUHFJASGRORO-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426956
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839268
5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 98017566
N-(4-ethoxyphenyl)-2-methyltriazol-4-amine
CID 45094498
4-N-(4-ethoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769010
N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927038
2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964928
N-(4-ethoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine
CID 5212174

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine?
The IUPAC name of N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine (CID 677157) is N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine is CCOc1ccc(Nc2cnc(C)s2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine?
The InChIKey is YFGUHFJASGRORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-15-11-6-4-10(5-7-11)14-12-8-13-9(2)16-12/h4-8,14H,3H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine?
N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine has a molecular weight of 234.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 677157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).