4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol

C21H28N2OS2 — CID 88970753

IUPAC4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(-c2csc(C3(N)CCSCC3)n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H28N2OS2/c1-13(2)15-10-14(11-16(18(15)24)20(3,4)5)17-12-26-19(23-17)21(22)6-8-25-9-7-21/h10-12,24H,1,6-9,22H2,2-5H3
InChIKeyKUGXISDUUUNAQG-UHFFFAOYSA-N
MW388.60 g/mol
LogP5.53
Rot. Bonds3

About 4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol

4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol (PubChem CID 88970753) has the molecular formula C21H28N2OS2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol
PubChem CID88970753
Molecular FormulaC21H28N2OS2
Molecular Weight388.60 g/mol
Exact Mass388.16
IUPAC Name4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(-c2csc(C3(N)CCSCC3)n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H28N2OS2/c1-13(2)15-10-14(11-16(18(15)24)20(3,4)5)17-12-26-19(23-17)21(22)6-8-25-9-7-21/h10-12,24H,1,6-9,22H2,2-5H3
InChIKeyKUGXISDUUUNAQG-UHFFFAOYSA-N
XLogP5.53
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol with MolForge

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Related Compounds

4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
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2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol
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4-[2-(aziridin-1-ylmethyl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
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1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
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2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol
CID 10215951
2,6-ditert-butyl-4-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]phenol;hydrochloride
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CID 120558286
1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251
1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 62943829
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol?
The IUPAC name of 4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol (CID 88970753) is 4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol.
What is the SMILES notation for 4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol?
The canonical SMILES for 4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol is C=C(C)c1cc(-c2csc(C3(N)CCSCC3)n2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol?
The InChIKey is KUGXISDUUUNAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS2/c1-13(2)15-10-14(11-16(18(15)24)20(3,4)5)17-12-26-19(23-17)21(22)6-8-25-9-7-21/h10-12,24H,1,6-9,22H2,2-5H3.
What are the key properties of 4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol?
4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol has a molecular weight of 388.60 g/mol, XLogP of 5.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol is sourced from PubChem (CID 88970753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).