4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine

C16H17N3OS — CID 82059130

IUPAC4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine
SMILESCCc1ccc(Nc2nc(-c3ccco3)c(C)s2)cc1N
InChIInChI=1S/C16H17N3OS/c1-3-11-6-7-12(9-13(11)17)18-16-19-15(10(2)21-16)14-5-4-8-20-14/h4-9H,3,17H2,1-2H3,(H,18,19)
InChIKeyJFMRZYBZOCVAQR-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.60
Rot. Bonds4

About 4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine

4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine (PubChem CID 82059130) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine
PubChem CID82059130
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine
SMILESCCc1ccc(Nc2nc(-c3ccco3)c(C)s2)cc1N
InChIInChI=1S/C16H17N3OS/c1-3-11-6-7-12(9-13(11)17)18-16-19-15(10(2)21-16)14-5-4-8-20-14/h4-9H,3,17H2,1-2H3,(H,18,19)
InChIKeyJFMRZYBZOCVAQR-UHFFFAOYSA-N
XLogP4.60
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 82059120
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]methanamine
CID 62633586
4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline
CID 55097440
4-(furan-2-yl)-5-methyl-2-phenyl-1,3-thiazole
CID 114275041
3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82057620
4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol
CID 93206365
2-[3-ethyl-6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-yl]acetamide
CID 91526020
1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one
CID 86060932
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218529

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine?
The IUPAC name of 4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine (CID 82059130) is 4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine?
The canonical SMILES for 4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine is CCc1ccc(Nc2nc(-c3ccco3)c(C)s2)cc1N.
What is the InChIKey of 4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine?
The InChIKey is JFMRZYBZOCVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-11-6-7-12(9-13(11)17)18-16-19-15(10(2)21-16)14-5-4-8-20-14/h4-9H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine?
4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine has a molecular weight of 299.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 82059130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).