5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine

C17H19N3OS2 — CID 5329723

IUPAC5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cnc(CSc2cnc(Nc3ccccc3)s2)o1
InChIInChI=1S/C17H19N3OS2/c1-17(2,3)13-9-18-14(21-13)11-22-15-10-19-16(23-15)20-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeySFGWUTHNZVSATD-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.46
Rot. Bonds5

About 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine

5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 5329723) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID5329723
Molecular FormulaC17H19N3OS2
Molecular Weight345.49 g/mol
Exact Mass345.10
IUPAC Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cnc(CSc2cnc(Nc3ccccc3)s2)o1
InChIInChI=1S/C17H19N3OS2/c1-17(2,3)13-9-18-14(21-13)11-22-15-10-19-16(23-15)20-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeySFGWUTHNZVSATD-UHFFFAOYSA-N
XLogP5.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

2-Amino-5-thio-substituted thiazole 39
CID 5329670
2-Amino-5-thio-substituted thiazole 40
CID 5329671
2-Amino-5-thio-substituted thiazole 41
CID 5329672
2-Amino-5-thio-substituted thiazole 47
CID 5329674
2-Amino-5-thio-substituted thiazole 31
CID 5329687
2-Amino-5-thio-substituted thiazole 32
CID 5329688
(2s)-N-(5-{[(5-Tert-Butyl-1,3-Oxazol-2-Yl)methyl]sulfanyl}-1,3-Thiazol-2-Yl)-2-Phenylpropanamide
CID 5329689
2-Aminothiazole 3
CID 5329722
2-Aminothiazole 7
CID 5329724
2-Aminothiazole 8
CID 5329725
1-Propanol, 3-[[[6-[[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]amino]-3-pyridinyl]methyl]amino]-2,2-dimethyl-
CID 5329727
2-Aminothiazole 23
CID 5329728

Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine (CID 5329723) is 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine is CC(C)(C)c1cnc(CSc2cnc(Nc3ccccc3)s2)o1.
What is the InChIKey of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is SFGWUTHNZVSATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS2/c1-17(2,3)13-9-18-14(21-13)11-22-15-10-19-16(23-15)20-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine?
5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 345.49 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 5329723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).