4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline

C15H20N2OS2 — CID 79527451

IUPAC4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESCCOc1ccc(N)c(SCc2csc(C(C)C)n2)c1
InChIInChI=1S/C15H20N2OS2/c1-4-18-12-5-6-13(16)14(7-12)19-8-11-9-20-15(17-11)10(2)3/h5-7,9-10H,4,8,16H2,1-3H3
InChIKeyYVCVKYFBWIRKJI-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.54
Rot. Bonds6

About 4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline

4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline (PubChem CID 79527451) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
PubChem CID79527451
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Name4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESCCOc1ccc(N)c(SCc2csc(C(C)C)n2)c1
InChIInChI=1S/C15H20N2OS2/c1-4-18-12-5-6-13(16)14(7-12)19-8-11-9-20-15(17-11)10(2)3/h5-7,9-10H,4,8,16H2,1-3H3
InChIKeyYVCVKYFBWIRKJI-UHFFFAOYSA-N
XLogP4.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79515830
4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 79518909
2-[(5-bromothiophen-3-yl)methylsulfanyl]-4-ethoxyaniline
CID 79526574
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 79133240
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-ethoxyaniline
CID 79512737
4-ethoxy-2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)aniline
CID 79527308
4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 79527013
2-[(3,4-dimethylphenyl)methylsulfanyl]-4-ethoxyaniline
CID 79526573
4-ethoxy-2-[(2-methoxyphenyl)methylsulfanyl]aniline
CID 79518905
4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline
CID 79518538
1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
CID 104643517
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole
CID 38866722

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The IUPAC name of 4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline (CID 79527451) is 4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline.
What is the SMILES notation for 4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The canonical SMILES for 4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline is CCOc1ccc(N)c(SCc2csc(C(C)C)n2)c1.
What is the InChIKey of 4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The InChIKey is YVCVKYFBWIRKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-4-18-12-5-6-13(16)14(7-12)19-8-11-9-20-15(17-11)10(2)3/h5-7,9-10H,4,8,16H2,1-3H3.
What are the key properties of 4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline has a molecular weight of 308.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79527451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).