5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline

C15H20N2OS — CID 82152400

IUPAC5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
SMILESCCCOc1ccc(-c2nc(C(C)C)cs2)cc1N
InChIInChI=1S/C15H20N2OS/c1-4-7-18-14-6-5-11(8-12(14)16)15-17-13(9-19-15)10(2)3/h5-6,8-10H,4,7,16H2,1-3H3
InChIKeyYQIOTTGDYDHZMV-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.30
Rot. Bonds5

About 5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline

5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline (PubChem CID 82152400) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline.

Molecular Properties

Compound Name5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
PubChem CID82152400
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
SMILESCCCOc1ccc(-c2nc(C(C)C)cs2)cc1N
InChIInChI=1S/C15H20N2OS/c1-4-7-18-14-6-5-11(8-12(14)16)15-17-13(9-19-15)10(2)3/h5-6,8-10H,4,7,16H2,1-3H3
InChIKeyYQIOTTGDYDHZMV-UHFFFAOYSA-N
XLogP4.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
CID 82152286
1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82515888
4-(3-amino-4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82225738
5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152278
2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515913
2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
CID 82152374
5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline
CID 82057785
4-propoxybenzene-1,3-diamine
CID 69462115
2-(3-chloro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole
CID 165458129

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline?
The IUPAC name of 5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline (CID 82152400) is 5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline.
What is the SMILES notation for 5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline?
The canonical SMILES for 5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline is CCCOc1ccc(-c2nc(C(C)C)cs2)cc1N.
What is the InChIKey of 5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline?
The InChIKey is YQIOTTGDYDHZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-7-18-14-6-5-11(8-12(14)16)15-17-13(9-19-15)10(2)3/h5-6,8-10H,4,7,16H2,1-3H3.
What are the key properties of 5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline?
5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline has a molecular weight of 276.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline is sourced from PubChem (CID 82152400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).