4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine

C16H16N2OS — CID 17473672

IUPAC4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCc3ccco3)n2)c(C)c1
InChIInChI=1S/C16H16N2OS/c1-11-5-6-14(12(2)8-11)15-10-20-16(18-15)17-9-13-4-3-7-19-13/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyQIQIRFCXHFPGLJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.63
Rot. Bonds4

About 4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine

4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 17473672) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID17473672
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCc3ccco3)n2)c(C)c1
InChIInChI=1S/C16H16N2OS/c1-11-5-6-14(12(2)8-11)15-10-20-16(18-15)17-9-13-4-3-7-19-13/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyQIQIRFCXHFPGLJ-UHFFFAOYSA-N
XLogP4.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 24505587
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
4-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 55027261
4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2059129
4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962177
4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 30330546
4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 47302221
4-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 17452911
4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole
CID 168527485
4-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 82059186
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 8753150
1-[(4-fluorophenyl)methyl]-5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 134082251

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine (CID 17473672) is 4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine is Cc1ccc(-c2csc(NCc3ccco3)n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is QIQIRFCXHFPGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-5-6-14(12(2)8-11)15-10-20-16(18-15)17-9-13-4-3-7-19-13/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 284.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 17473672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).