4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine

C15H15N3S2 — CID 82424450

IUPAC4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2ncc(-c3csc(NC)n3)s2)cc1
InChIInChI=1S/C15H15N3S2/c1-3-10-4-6-11(7-5-10)14-17-8-13(20-14)12-9-19-15(16-2)18-12/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyMRDFIPIAHDPHAJ-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.54
Rot. Bonds4

About 4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine

4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 82424450) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID82424450
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC Name4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2ncc(-c3csc(NC)n3)s2)cc1
InChIInChI=1S/C15H15N3S2/c1-3-10-4-6-11(7-5-10)14-17-8-13(20-14)12-9-19-15(16-2)18-12/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyMRDFIPIAHDPHAJ-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424491
N-methyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422630
N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 60642064
[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea
CID 100741988
N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine
CID 62351380
N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424494
N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82425351
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 5076163
N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424843
1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine
CID 93206370

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine (CID 82424450) is 4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine is CCc1ccc(-c2ncc(-c3csc(NC)n3)s2)cc1.
What is the InChIKey of 4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is MRDFIPIAHDPHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-3-10-4-6-11(7-5-10)14-17-8-13(20-14)12-9-19-15(16-2)18-12/h4-9H,3H2,1-2H3,(H,16,18).
What are the key properties of 4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 301.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82424450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).